SMIRKS
[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10](=[C:9]([C:8]([C:7](=[C:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:173])([H:174])[H:175])([H:171])[H:172])[H:170])[H:169])([H:167])[H:168])[H:166])[H:165])([H:163])[H:164])[H:162])[H:161])([H:159])[H:160])([H:157])[H:158])([H:155])[H:156])([H:153])[H:154])([H:151])[H:152])([H:149])[H:150])([H:147])[H:148])=[O:19])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H]C(=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])C([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])O[C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10](=[C:9]([C:8]([C:7](=[C:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:173])([H:174])[H:175])([H:171])[H:172])[H:170])[H:169])([H:167])[H:168])[H:166])[H:165])([H:163])[H:164])[H:162])[H:161])([H:159])[H:160])([H:157])[H:158])([H:155])[H:156])([H:153])[H:154])([H:151])[H:152])([H:149])[H:150])([H:147])[H:148])=[O:19]
Derived Operators
EVODEX.1-F346 - Elemental Balance
| P | -3 |
| O | -11 |
| C | 18 |
| S | -1 |
| N | -7 |
| H | 36 |
EVODEX.1-M352 - Mass Difference
-146.57721999999998
EVODEX.1-E1135 - Reaction Operator E
[#6:55]-[#6:56](=[#8:57])-[#16]-[#6](-[#6](-[#7](-[#6](=[#8])-[#6](-[#6](-[#7](-[#6](=[#8])-[#6@](-[#8]-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8]-[#6](-[#6@](-[#6](-[#8]-[#6:56](-[#6:55])=[#8:57])(-[H])-[H])(-[#8]-[#6](=[#8])-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]
EVODEX.1-C310 - Reaction Operator C
[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:18])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#8]-[#6:18]
EVODEX.1-N360 - Reaction Operator N
[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:18](-[#6:17])=[#8:19])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#8]-[#6:18](-[#6:17])=[#8:19]
EVODEX.1-Em7 - Reaction Operator Em
[#6]-[#16]-[#6:37](-[#6:36])=[#8:38]>>[#6]-[#8]-[#6:37](-[#6:36])=[#8:38]
EVODEX.1-Nm8 - Reaction Operator Nm
[#6]-[#16]-[#6:37](-[#6:36])=[#8:38]>>[#6]-[#8]-[#6:37](-[#6:36])=[#8:38]
Source Full Reactions
EVODEX.1-R2221
[C:1]([C:2]([C:3](=[C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[S:20][C:21]([C:22]([N:23]([C:24](=[O:25])[C:26]([C:27]([N:28]([C:29](=[O:30])[C@:31]([O:32][H:112])([C:33]([C:34]([H:113])([H:114])[H:115])([C:35]([H:116])([H:117])[H:118])[C:36]([O:37][P:38](=[O:39])([O:40][H:119])[O:41][P:42](=[O:43])([O:44][H:120])[O:45][C:46]([C@@:47]1([H:121])[O:48][C@:49]([N:50]2:[C:51]([H:122]):[N:52]:[C:53]3:[C:54]([N:55]([H:123])[H:124]):[N:56]:[C:57]([H:125]):[N:58]:[C:59]:2:3)([H:126])[C@@:60]([O:61][H:127])([H:128])[C@@:62]1([O:63][P:64](=[O:65])([O:66][H:129])[O:67][H:130])[H:131])([H:132])[H:133])([H:134])[H:135])[H:136])[H:137])([H:138])[H:139])([H:140])[H:141])[H:142])([H:143])[H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])[H:152])([H:153])[H:154])([H:155])[H:156])([H:157])[H:158])([H:159])[H:160])[H:161])[H:162])([H:163])[H:164])[H:165])[H:166])([H:167])[H:168])[H:169])[H:170])([H:171])[H:172])([H:173])([H:174])[H:175].[H][O:91][C:90]([C:89]([C:88]([O:87][C:85]([C:84]([C:83]([C:82]([C:81]([C:80]([C:79]([C:78]([C:77](=[C:76]([C:75]([C:74]([C:73]([C:72]([C:71]([C:70]([C:69]([C:68]([H:245])([H:246])[H:247])([H:243])[H:244])([H:241])[H:242])([H:239])[H:240])([H:237])[H:238])([H:235])[H:236])([H:233])[H:234])([H:231])[H:232])[H:230])[H:229])([H:227])[H:228])([H:225])[H:226])([H:223])[H:224])([H:221])[H:222])([H:219])[H:220])([H:217])[H:218])([H:215])[H:216])=[O:86])([H:213])[H:214])([O:92][C:93](=[O:94])[C:95]([C:96]([C:97]([C:98]([C:99]([C:100]([C:101]([C:102](=[C:103]([C:104]([C:105]([C:106]([C:107]([C:108]([C:109]([C:110]([C:111]([H:179])([H:180])[H:181])([H:182])[H:183])([H:184])[H:185])([H:186])[H:187])([H:188])[H:189])([H:190])[H:191])([H:192])[H:193])([H:194])[H:195])[H:196])[H:197])([H:198])[H:199])([H:200])[H:201])([H:202])[H:203])([H:204])[H:205])([H:206])[H:207])([H:208])[H:209])([H:210])[H:211])[H:212])([H:177])[H:178]>>[C:1]([C:2]([C:3](=[C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:91][C:90]([C:89]([C:88]([O:87][C:85]([C:84]([C:83]([C:82]([C:81]([C:80]([C:79]([C:78]([C:77](=[C:76]([C:75]([C:74]([C:73]([C:72]([C:71]([C:70]([C:69]([C:68]([H:245])([H:246])[H:247])([H:243])[H:244])([H:241])[H:242])([H:239])[H:240])([H:237])[H:238])([H:235])[H:236])([H:233])[H:234])([H:231])[H:232])[H:230])[H:229])([H:227])[H:228])([H:225])[H:226])([H:223])[H:224])([H:221])[H:222])([H:219])[H:220])([H:217])[H:218])([H:215])[H:216])=[O:86])([H:213])[H:214])([O:92][C:93](=[O:94])[C:95]([C:96]([C:97]([C:98]([C:99]([C:100]([C:101]([C:102](=[C:103]([C:104]([C:105]([C:106]([C:107]([C:108]([C:109]([C:110]([C:111]([H:179])([H:180])[H:181])([H:182])[H:183])([H:184])[H:185])([H:186])[H:187])([H:188])[H:189])([H:190])[H:191])([H:192])[H:193])([H:194])[H:195])[H:196])[H:197])([H:198])[H:199])([H:200])[H:201])([H:202])[H:203])([H:204])[H:205])([H:206])[H:207])([H:208])[H:209])([H:210])[H:211])[H:212])([H:177])[H:178])([H:147])[H:148])([H:149])[H:150])([H:151])[H:152])([H:153])[H:154])([H:155])[H:156])([H:157])[H:158])([H:159])[H:160])[H:161])[H:162])([H:163])[H:164])[H:165])[H:166])([H:167])[H:168])[H:169])[H:170])([H:171])[H:172])([H:173])([H:174])[H:175].[H][S:20][C:21]([C:22]([N:23]([C:24](=[O:25])[C:26]([C:27]([N:28]([C:29](=[O:30])[C@:31]([O:32][H:112])([C:33]([C:34]([H:113])([H:114])[H:115])([C:35]([H:116])([H:117])[H:118])[C:36]([O:37][P:38](=[O:39])([O:40][H:119])[O:41][P:42](=[O:43])([O:44][H:120])[O:45][C:46]([C@@:47]1([H:121])[O:48][C@:49]([N:50]2:[C:51]([H:122]):[N:52]:[C:53]3:[C:54]([N:55]([H:123])[H:124]):[N:56]:[C:57]([H:125]):[N:58]:[C:59]:2:3)([H:126])[C@@:60]([O:61][H:127])([H:128])[C@@:62]1([O:63][P:64](=[O:65])([O:66][H:129])[O:67][H:130])[H:131])([H:132])[H:133])([H:134])[H:135])[H:136])[H:137])([H:138])[H:139])([H:140])[H:141])[H:142])([H:143])[H:144])([H:145])[H:146]