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:20]([C:19]([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:237])([H:238])[H:239])([H:235])[H:236])([H:233])[H:234])([H:231])[H:232])([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])=[O:21])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H][C:20]([H])([C:19]([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:237])([H:238])[H:239])([H:235])[H:236])([H:233])[H:234])([H:231])[H:232])([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])[O:21][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-R713
[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]([C:19]([C:20](=[O:21])[S:22][C:23]([C:24]([N:25]([C:26](=[O:27])[C:28]([C:29]([N:30]([C:31](=[O:32])[C@:33]([O:34][H:166])([C:35]([C:36]([H:167])([H:168])[H:169])([C:37]([H:170])([H:171])[H:172])[C:38]([O:39][P:40](=[O:41])([O:42][H:173])[O:43][P:44](=[O:45])([O:46][H:174])[O:47][C:48]([C@@:49]1([H:175])[O:50][C@:51]([N:52]2:[C:53]([H:176]):[N:54]:[C:55]3:[C:56]([N:57]([H:177])[H:178]):[N:58]:[C:59]([H:179]):[N:60]:[C:61]:2:3)([H:180])[C@@:62]([O:63][H:181])([H:182])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:183])[O:69][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])[H:234])([H:235])[H:236])([H:237])([H:238])[H:239].[HH].[HH].[H][C:165]1([H:266])[C:121]([C:119]([N:118]([H:268])[H:269])=[O:120])=[C:122]([H:240])[N:123]([C@:124]2([H:241])[O:125][C@@:126]([C:127]([O:128][P:129](=[O:130])([O:131][H:242])[O:132][P:133](=[O:134])([O:135][H:243])[O:136][C:137]([C@@:138]3([H:244])[O:139][C@:140]([N:141]4:[C:142]([H:245]):[N:143]:[C:144]5:[C:145]([N:146]([H:246])[H:247]):[N:147]:[C:148]([H:248]):[N:149]:[C:150]:4:5)([H:249])[C@@:151]([O:152][P:153](=[O:154])([O:155][H:250])[O:156][H:251])([H:252])[C@@:157]3([O:158][H:253])[H:254])([H:255])[H:256])([H:257])[H:258])([H:259])[C@:159]([O:160][H:260])([H:261])[C@:161]2([O:162][H:262])[H:263])[C:163]([H:264])=[C:164]1[H:265].[H][C:117]1([H:296])[C:73]([C:71]([N:70]([H:298])[H:299])=[O:72])=[C:74]([H:270])[N:75]([C@:76]2([H:271])[O:77][C@@:78]([C:79]([O:80][P:81](=[O:82])([O:83][H:272])[O:84][P:85](=[O:86])([O:87][H:273])[O:88][C:89]([C@@:90]3([H:274])[O:91][C@:92]([N:93]4:[C:94]([H:275]):[N:95]:[C:96]5:[C:97]([N:98]([H:276])[H:277]):[N:99]:[C:100]([H:278]):[N:101]:[C:102]:4:5)([H:279])[C@@:103]([O:104][P:105](=[O:106])([O:107][H:280])[O:108][H:281])([H:282])[C@@:109]3([O:110][H:283])[H:284])([H:285])[H:286])([H:287])[H:288])([H:289])[C@:111]([O:112][H:290])([H:291])[C@:113]2([O:114][H:292])[H:293])[C:115]([H:294])=[C:116]1[H:295]>>[H][C:20]([H])([C:19]([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:237])([H:238])[H:239])([H:235])[H:236])([H:233])[H:234])([H:231])[H:232])([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])[O:21][H].[N:118]([C:119](=[O:120])[C:121]1:[C:122]([H:240]):[N+:123]([C@:124]2([H:241])[O:125][C@@:126]([C:127]([O:128][P:129](=[O:130])([O:131][H:242])[O:132][P:133](=[O:134])([O:135][H:243])[O:136][C:137]([C@@:138]3([H:244])[O:139][C@:140]([N:141]4:[C:142]([H:245]):[N:143]:[C:144]5:[C:145]([N:146]([H:246])[H:247]):[N:147]:[C:148]([H:248]):[N:149]:[C:150]:4:5)([H:249])[C@@:151]([O:152][P:153](=[O:154])([O:155][H:250])[O:156][H:251])([H:252])[C@@:157]3([O:158][H:253])[H:254])([H:255])[H:256])([H:257])[H:258])([H:259])[C@:159]([O:160][H:260])([H:261])[C@:161]2([O:162][H:262])[H:263]):[C:163]([H:264]):[C:164]([H:265]):[C:165]:1[H:266])([H:268])[H:269].[N:70]([C:71](=[O:72])[C:73]1:[C:74]([H:270]):[N+:75]([C@:76]2([H:271])[O:77][C@@:78]([C:79]([O:80][P:81](=[O:82])([O:83][H:272])[O:84][P:85](=[O:86])([O:87][H:273])[O:88][C:89]([C@@:90]3([H:274])[O:91][C@:92]([N:93]4:[C:94]([H:275]):[N:95]:[C:96]5:[C:97]([N:98]([H:276])[H:277]):[N:99]:[C:100]([H:278]):[N:101]:[C:102]:4:5)([H:279])[C@@:103]([O:104][P:105](=[O:106])([O:107][H:280])[O:108][H:281])([H:282])[C@@:109]3([O:110][H:283])[H:284])([H:285])[H:286])([H:287])[H:288])([H:289])[C@:111]([O:112][H:290])([H:291])[C@:113]2([O:114][H:292])[H:293]):[C:115]([H:294]):[C:116]([H:295]):[C:117]:1[H:296])([H:298])[H:299].[H][S:22][C:23]([C:24]([N:25]([C:26](=[O:27])[C:28]([C:29]([N:30]([C:31](=[O:32])[C@:33]([O:34][H:166])([C:35]([C:36]([H:167])([H:168])[H:169])([C:37]([H:170])([H:171])[H:172])[C:38]([O:39][P:40](=[O:41])([O:42][H:173])[O:43][P:44](=[O:45])([O:46][H:174])[O:47][C:48]([C@@:49]1([H:175])[O:50][C@:51]([N:52]2:[C:53]([H:176]):[N:54]:[C:55]3:[C:56]([N:57]([H:177])[H:178]):[N:58]:[C:59]([H:179]):[N:60]:[C:61]:2:3)([H:180])[C@@:62]([O:63][H:181])([H:182])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:183])[O:69][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]