EVODEX.1-P5781

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[O:4][H:22])([H:23])([H:24])[H:25].[H][N:19]([C:18]([C:17]([S:16][C:15]1=[C:11]([C:12](=[O:13])[O:14][H:27])[N:10]2[C:8](=[O:9])[C@@:7]([C:6]([C:5]([H:39])([H:40])[H:41])([H:37])[H:38])([H:26])[C@@:21]2([H:36])[C:20]1([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])[H:28]>>[C:1]([C:2](=[O:3])[N:19]([C:18]([C:17]([S:16][C:15]1=[C:11]([C:12](=[O:13])[O:14][H:27])[N:10]2[C:8](=[O:9])[C@@:7]([C:6]([C:5]([H:39])([H:40])[H:41])([H:37])[H:38])([H:26])[C@@:21]2([H:36])[C:20]1([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])[H:28])([H:23])([H:24])[H:25].[H][O:4][H:22]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E92 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4]-[H:22].([#7:10]-[#6@@:21](-[#6@@:7])(-[#6:20])-[H:36].[#6:18]-[#7:19](-[H:28])-[H])>>([#6:1]-[#6:2](=[#8:3])-[#7:19](-[#6:18])-[H:28].[#7:10]-[#6@:21](-[#6@@:7])(-[H:36])-[#6:20]).[#8:4](-[H:22])-[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-N14 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4]-[H:22].[H]-[#7:19](-[#6:18])-[H:28]>>[#6:1]-[#6:2](=[#8:3])-[#7:19](-[#6:18])-[H:28].[H]-[#8:4]-[H:22]

EVODEX.1-Em54 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4].[H]-[#7:19]-[#6:18]>>[#6:1]-[#6:2](=[#8:3])-[#7:19]-[#6:18].[H]-[#8:4]

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-Nm61 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4].[H]-[#7:19]-[#6:18]>>[#6:1]-[#6:2](=[#8:3])-[#7:19]-[#6:18].[H]-[#8:4]

Source Full Reactions

EVODEX.1-R6477

Full Reaction Rendering

[C:1]([C:2](=[O:3])[O:4][H:22])([H:23])([H:24])[H:25].[H][N:19]([C:18]([C:17]([S:16][C:15]1=[C:11]([C:12](=[O:13])[O:14][H:27])[N:10]2[C:8](=[O:9])[C@@:7]([C:6]([C:5]([H:39])([H:40])[H:41])([H:37])[H:38])([H:26])[C@@:21]2([H:36])[C:20]1([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])[H:28]>>[C:1]([C:2](=[O:3])[N:19]([C:18]([C:17]([S:16][C:15]1=[C:11]([C:12](=[O:13])[O:14][H:27])[N:10]2[C:8](=[O:9])[C@@:7]([C:6]([C:5]([H:39])([H:40])[H:41])([H:37])[H:38])([H:26])[C@@:21]2([H:36])[C:20]1([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])[H:28])([H:23])([H:24])[H:25].[H][O:4][H:22]