EVODEX.1-P2580

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:23]([C:24]1:[C:25]([H:39]):[C:26]([H:40]):[C:27]([S:28](=[O:29])(=[O:30])[N:31]([C:32]2:[N:33]:[C:34]([H:41]):[C:35]([H:42]):[S:36]:2)[H:43]):[C:37]([H:44]):[C:38]:1[H:45])[H:46].[N:1](=[C:2]1:[N:3]([H:48]):[C:4]2:[C:5](:[C:6](=[O:7]):[N:8]:1[H:49])[N:9]=[C:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:50])[O:16][P:17](=[O:18])([O:19][H:51])[O:20][H:52])([H:53])[H:54])[C:21]([H:55])([H:56])[N:22]2[H:57])[H:58]>>[N:1](=[C:2]1:[N:3]([H:48]):[C:4]2:[C:5](:[C:6](=[O:7]):[N:8]:1[H:49])[N:9]=[C:10]([C:11]([N:23]([C:24]1:[C:25]([H:39]):[C:26]([H:40]):[C:27]([S:28](=[O:29])(=[O:30])[N:31]([C:32]3:[N:33]:[C:34]([H:41]):[C:35]([H:42]):[S:36]:3)[H:43]):[C:37]([H:44]):[C:38]:1[H:45])[H:46])([H:53])[H:54])[C:21]([H:55])([H:56])[N:22]2[H:57])[H:58].[H][O:12][P:13](=[O:14])([O:15][H:50])[O:16][P:17](=[O:18])([O:19][H:51])[O:20][H:52]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E178 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#6:5](-[#8:6]-[#15:7])(-[H:48])-[H:49].[#7:15](-[#6:16])(-[H:67])-[H]>>[#6:4]-[#6:5](-[#7:15](-[#6:16])-[H:67])(-[H:48])-[H:49].[#8:6](-[#15:7])-[H]

EVODEX.1-C10 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-N478 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:4]-[#6:5](-[#8:6]-[#15:7])(-[H:51])-[H:52].[H]-[#7:15](-[#6:16])-[H:71]>>[#6:4]-[#6:5](-[#7:15](-[#6:16])-[H:71])(-[H:51])-[H:52].[H]-[#8:6]-[#15:7]

EVODEX.1-Em514 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:4]-[#6:5]-[#8:6]-[#15:7].[H]-[#7:15]-[#6:16]>>[#6:4]-[#6:5]-[#7:15]-[#6:16].[H]-[#8:6]-[#15:7]

EVODEX.1-Cm34 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-Nm465 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:4]-[#6:5]-[#8:6]-[#15:7].[H]-[#7:15]-[#6:16]>>[#6:4]-[#6:5]-[#7:15]-[#6:16].[H]-[#8:6]-[#15:7]

Source Full Reactions

EVODEX.1-R3318

Full Reaction Rendering

[H][N:23]([C:24]1:[C:25]([H:39]):[C:26]([H:40]):[C:27]([S:28](=[O:29])(=[O:30])[N:31]([C:32]2:[N:33]:[C:34]([H:41]):[C:35]([H:42]):[S:36]:2)[H:43]):[C:37]([H:44]):[C:38]:1[H:45])[H:46].[N:1](=[C:2]1:[N:3]([H:48]):[C:4]2:[C:5](:[C:6](=[O:7]):[N:8]:1[H:49])[N:9]=[C:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:50])[O:16][P:17](=[O:18])([O:19][H:51])[O:20][H:52])([H:53])[H:54])[C:21]([H:55])([H:56])[N:22]2[H:57])[H:58]>>[N:1](=[C:2]1:[N:3]([H:48]):[C:4]2:[C:5](:[C:6](=[O:7]):[N:8]:1[H:49])[N:9]=[C:10]([C:11]([N:23]([C:24]1:[C:25]([H:39]):[C:26]([H:40]):[C:27]([S:28](=[O:29])(=[O:30])[N:31]([C:32]3:[N:33]:[C:34]([H:41]):[C:35]([H:42]):[S:36]:3)[H:43]):[C:37]([H:44]):[C:38]:1[H:45])[H:46])([H:53])[H:54])[C:21]([H:55])([H:56])[N:22]2[H:57])[H:58].[H][O:12][P:13](=[O:14])([O:15][H:50])[O:16][P:17](=[O:18])([O:19][H:51])[O:20][H:52]