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:231])([H:232])[H:233])([H:229])[H:230])([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])([H:213])[H:214])([H:211])[H:212])([H:209])[H:210])([H:207])[H:208])([H:205])[H:206])([H:203])[H:204])([H:201])[H:202])([H:199])[H:200])=[O:19])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H][C:18]([H])([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:231])([H:232])[H:233])([H:229])[H:230])([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])([H:213])[H:214])([H:211])[H:212])([H:209])[H:210])([H:207])[H:208])([H:205])[H:206])([H:203])[H:204])([H:201])[H:202])([H:199])[H:200])[O:19][H]
Derived Operators
EVODEX.1-F47 - Elemental Balance
| P | -3 |
| O | -16 |
| C | -21 |
| S | -1 |
| N | -7 |
| H | -32 |
EVODEX.1-M211 - Mass Difference
-763.0841599999999
EVODEX.1-E534 - Reaction Operator E
[#6:27]-[#6:28](=[#8:29])-[#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]>>[#6:27]-[#6:28](-[#8:29]-[H])(-[H])-[H]
EVODEX.1-C235 - 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]-[#6:17]=[#8:18])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#6:17](-[H])-[#8:18]-[H]
EVODEX.1-N219 - 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]-[#6:17](-[#6:15])=[#8:18])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#6:17](-[H])(-[#6:15])-[#8:18]-[H]
EVODEX.1-Em310 - Reaction Operator Em
[#6]-[#16]-[#6:17](-[#6:15])=[#8:18]>>[H]-[#6:17](-[H])(-[#6:15])-[#8:18]-[H]
EVODEX.1-Nm303 - Reaction Operator Nm
[#6]-[#16]-[#6:17](-[#6:15])=[#8:18]>>[H]-[#6:17](-[H])(-[#6:15])-[#8:18]-[H]
Source Full Reactions
EVODEX.1-R716
[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:164])([C:33]([C:34]([H:165])([H:166])[H:167])([C:35]([H:168])([H:169])[H:170])[C:36]([O:37][P:38](=[O:39])([O:40][H:171])[O:41][P:42](=[O:43])([O:44][H:172])[O:45][C:46]([C@@:47]1([H:173])[O:48][C@:49]([N:50]2:[C:51]([H:174]):[N:52]:[C:53]3:[C:54]([N:55]([H:175])[H:176]):[N:56]:[C:57]([H:177]):[N:58]:[C:59]:2:3)([H:178])[C@@:60]([O:61][H:179])([H:180])[C@@:62]1([O:63][P:64](=[O:65])([O:66][H:181])[O:67][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:213])[H:214])([H:215])[H:216])([H:217])[H:218])([H:219])[H:220])([H:221])[H:222])([H:223])[H:224])([H:225])[H:226])([H:227])[H:228])([H:229])[H:230])([H:231])([H:232])[H:233].[HH].[HH].[H][C:163]1([H:260])[C:119]([C:117]([N:116]([H:262])[H:263])=[O:118])=[C:120]([H:234])[N:121]([C@:122]2([H:235])[O:123][C@@:124]([C:125]([O:126][P:127](=[O:128])([O:129][H:236])[O:130][P:131](=[O:132])([O:133][H:237])[O:134][C:135]([C@@:136]3([H:238])[O:137][C@:138]([N:139]4:[C:140]([H:239]):[N:141]:[C:142]5:[C:143]([N:144]([H:240])[H:241]):[N:145]:[C:146]([H:242]):[N:147]:[C:148]:4:5)([H:243])[C@@:149]([O:150][P:151](=[O:152])([O:153][H:244])[O:154][H:245])([H:246])[C@@:155]3([O:156][H:247])[H:248])([H:249])[H:250])([H:251])[H:252])([H:253])[C@:157]([O:158][H:254])([H:255])[C@:159]2([O:160][H:256])[H:257])[C:161]([H:258])=[C:162]1[H:259].[H][C:115]1([H:290])[C:71]([C:69]([N:68]([H:292])[H:293])=[O:70])=[C:72]([H:264])[N:73]([C@:74]2([H:265])[O:75][C@@:76]([C:77]([O:78][P:79](=[O:80])([O:81][H:266])[O:82][P:83](=[O:84])([O:85][H:267])[O:86][C:87]([C@@:88]3([H:268])[O:89][C@:90]([N:91]4:[C:92]([H:269]):[N:93]:[C:94]5:[C:95]([N:96]([H:270])[H:271]):[N:97]:[C:98]([H:272]):[N:99]:[C:100]:4:5)([H:273])[C@@:101]([O:102][P:103](=[O:104])([O:105][H:274])[O:106][H:275])([H:276])[C@@:107]3([O:108][H:277])[H:278])([H:279])[H:280])([H:281])[H:282])([H:283])[C@:109]([O:110][H:284])([H:285])[C@:111]2([O:112][H:286])[H:287])[C:113]([H:288])=[C:114]1[H:289]>>[H][C:18]([H])([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:231])([H:232])[H:233])([H:229])[H:230])([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])([H:213])[H:214])([H:211])[H:212])([H:209])[H:210])([H:207])[H:208])([H:205])[H:206])([H:203])[H:204])([H:201])[H:202])([H:199])[H:200])[O:19][H].[N:116]([C:117](=[O:118])[C:119]1:[C:120]([H:234]):[N+:121]([C@:122]2([H:235])[O:123][C@@:124]([C:125]([O:126][P:127](=[O:128])([O:129][H:236])[O:130][P:131](=[O:132])([O:133][H:237])[O:134][C:135]([C@@:136]3([H:238])[O:137][C@:138]([N:139]4:[C:140]([H:239]):[N:141]:[C:142]5:[C:143]([N:144]([H:240])[H:241]):[N:145]:[C:146]([H:242]):[N:147]:[C:148]:4:5)([H:243])[C@@:149]([O:150][P:151](=[O:152])([O:153][H:244])[O:154][H:245])([H:246])[C@@:155]3([O:156][H:247])[H:248])([H:249])[H:250])([H:251])[H:252])([H:253])[C@:157]([O:158][H:254])([H:255])[C@:159]2([O:160][H:256])[H:257]):[C:161]([H:258]):[C:162]([H:259]):[C:163]:1[H:260])([H:262])[H:263].[N:68]([C:69](=[O:70])[C:71]1:[C:72]([H:264]):[N+:73]([C@:74]2([H:265])[O:75][C@@:76]([C:77]([O:78][P:79](=[O:80])([O:81][H:266])[O:82][P:83](=[O:84])([O:85][H:267])[O:86][C:87]([C@@:88]3([H:268])[O:89][C@:90]([N:91]4:[C:92]([H:269]):[N:93]:[C:94]5:[C:95]([N:96]([H:270])[H:271]):[N:97]:[C:98]([H:272]):[N:99]:[C:100]:4:5)([H:273])[C@@:101]([O:102][P:103](=[O:104])([O:105][H:274])[O:106][H:275])([H:276])[C@@:107]3([O:108][H:277])[H:278])([H:279])[H:280])([H:281])[H:282])([H:283])[C@:109]([O:110][H:284])([H:285])[C@:111]2([O:112][H:286])[H:287]):[C:113]([H:288]):[C:114]([H:289]):[C:115]:1[H:290])([H:292])[H:293].[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:164])([C:33]([C:34]([H:165])([H:166])[H:167])([C:35]([H:168])([H:169])[H:170])[C:36]([O:37][P:38](=[O:39])([O:40][H:171])[O:41][P:42](=[O:43])([O:44][H:172])[O:45][C:46]([C@@:47]1([H:173])[O:48][C@:49]([N:50]2:[C:51]([H:174]):[N:52]:[C:53]3:[C:54]([N:55]([H:175])[H:176]):[N:56]:[C:57]([H:177]):[N:58]:[C:59]:2:3)([H:178])[C@@:60]([O:61][H:179])([H:180])[C@@:62]1([O:63][P:64](=[O:65])([O:66][H:181])[O:67][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]