EVODEX.1-P1625

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:57])([C:17]([C:18]([H:58])([H:59])[H:60])([C:19]([H:61])([H:62])[H:63])[C:20]([O:21][P:22](=[O:23])([O:24][H:64])[O:25][P:26](=[O:27])([O:28][H:65])[O:29][C:30]([C@@:31]1([H:66])[O:32][C@:33]([N:34]2:[C:35]([H:67]):[N:36]:[C:37]3:[C:38]([N:39]([H:68])[H:69]):[N:40]:[C:41]([H:70]):[N:42]:[C:43]:2:3)([H:71])[C@@:44]([O:45][H:72])([H:73])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:74])[O:51][H:75])[H:76])([H:77])[H:78])([H:79])[H:80])[H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])([H:93])[H:94].[H][O:54][P:53](=[O:52])([O:55][H:96])[O:56][H:97]>>[C:1]([C:2](=[O:3])[O:54][P:53](=[O:52])([O:55][H:96])[O:56][H:97])([H:92])([H:93])[H:94].[H][S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:57])([C:17]([C:18]([H:58])([H:59])[H:60])([C:19]([H:61])([H:62])[H:63])[C:20]([O:21][P:22](=[O:23])([O:24][H:64])[O:25][P:26](=[O:27])([O:28][H:65])[O:29][C:30]([C@@:31]1([H:66])[O:32][C@:33]([N:34]2:[C:35]([H:67]):[N:36]:[C:37]3:[C:38]([N:39]([H:68])[H:69]):[N:40]:[C:41]([H:70]):[N:42]:[C:43]:2:3)([H:71])[C@@:44]([O:45][H:72])([H:73])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:74])[O:51][H:75])[H:76])([H:77])[H:78])([H:79])[H:80])[H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[H:87])([H:88])[H:89])([H:90])[H:91]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E230 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#16:4]-[#6:5].[#15:49]-[#8:50]-[H]>>[#6:1]-[#6:2](=[#8:3])-[#8:50]-[#15:49].[#16:4](-[#6:5])-[H]

EVODEX.1-C2 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-N355 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#16:4]-[#6:5].[H]-[#8:50]-[#15:49]>>[#6:1]-[#6:2](=[#8:3])-[#8:50]-[#15:49].[H]-[#16:4]-[#6:5]

EVODEX.1-Em449 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#16:4]-[#6:5].[H]-[#8:50]-[#15:49]>>[#6:1]-[#6:2](=[#8:3])-[#8:50]-[#15:49].[H]-[#16:4]-[#6:5]

EVODEX.1-Cm23 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-Nm402 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#16:4]-[#6:5].[H]-[#8:50]-[#15:49]>>[#6:1]-[#6:2](=[#8:3])-[#8:50]-[#15:49].[H]-[#16:4]-[#6:5]

Source Full Reactions

EVODEX.1-R2181

Full Reaction Rendering

[C:1]([C:2](=[O:3])[S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:57])([C:17]([C:18]([H:58])([H:59])[H:60])([C:19]([H:61])([H:62])[H:63])[C:20]([O:21][P:22](=[O:23])([O:24][H:64])[O:25][P:26](=[O:27])([O:28][H:65])[O:29][C:30]([C@@:31]1([H:66])[O:32][C@:33]([N:34]2:[C:35]([H:67]):[N:36]:[C:37]3:[C:38]([N:39]([H:68])[H:69]):[N:40]:[C:41]([H:70]):[N:42]:[C:43]:2:3)([H:71])[C@@:44]([O:45][H:72])([H:73])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:74])[O:51][H:75])[H:76])([H:77])[H:78])([H:79])[H:80])[H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])([H:93])[H:94].[H][O:54][P:53](=[O:52])([O:55][H:96])[O:56][H:97]>>[C:1]([C:2](=[O:3])[O:54][P:53](=[O:52])([O:55][H:96])[O:56][H:97])([H:92])([H:93])[H:94].[H][S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:57])([C:17]([C:18]([H:58])([H:59])[H:60])([C:19]([H:61])([H:62])[H:63])[C:20]([O:21][P:22](=[O:23])([O:24][H:64])[O:25][P:26](=[O:27])([O:28][H:65])[O:29][C:30]([C@@:31]1([H:66])[O:32][C@:33]([N:34]2:[C:35]([H:67]):[N:36]:[C:37]3:[C:38]([N:39]([H:68])[H:69]):[N:40]:[C:41]([H:70]):[N:42]:[C:43]:2:3)([H:71])[C@@:44]([O:45][H:72])([H:73])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:74])[O:51][H:75])[H:76])([H:77])[H:78])([H:79])[H:80])[H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[H:87])([H:88])[H:89])([H:90])[H:91]