EVODEX.1-P1378

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:6][C:4]([C:2]([C:1]([H:24])([H:25])[H:26])=[O:3])=[O:5].[C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[C:13]([C:14](=[O:15])[S:16][C:17]([C:18]([N:19]([C:20]([C:21]([H:27])([H:28])[H:29])=[O:22])[H:30])([H:31])[H:32])([H:33])[H:34])[H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])([H:46])[H:47]>>[C:4](=[O:5])=[O:6].[H][C:13]([C:12]([C:2]([C:1]([H:24])([H:25])[H:26])=[O:3])([C:11]([C:10]([C:9]([C:8]([C:7]([H:45])([H:46])[H:47])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])[H:36])([C:14](=[O:15])[S:16][C:17]([C:18]([N:19]([C:20]([C:21]([H:27])([H:28])[H:29])=[O:22])[H:30])([H:31])[H:32])([H:33])[H:34])[H:35]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E308 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#6:4](=[#8:5])-[#8:6]-[H].[#6:12]-[#6:13](=[#6:14](-[#6:15]=[#8:17])-[H:25])-[H:26]>>[#6:4](=[#8:5])=[#8:6].[#6:1]-[#6:2](=[#8:3])-[#6@:13](-[#6:12])(-[#6:14](-[#6:15]=[#8:17])(-[H:25])-[H])-[H:26]

EVODEX.1-C268 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:6]-[#6:4]-[#6:2].[#6:13]=[#6:14]>>[#6:4]=[#8:6].[H]-[#6:14]-[#6@@:13]-[#6:2]

EVODEX.1-N295 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:6]-[#6:4](-[#6:2](-[#6:1])=[#8:3])=[#8:5].[#6:12]-[#6:13](=[#6:14](-[#6:15])-[H:36])-[H:37]>>[#6:4](=[#8:5])=[#8:6].[H]-[#6:14](-[#6@@:13](-[#6:2](-[#6:1])=[#8:3])(-[#6:12])-[H:37])(-[#6:15])-[H:36]

EVODEX.1-Em419 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:6]-[#6:4](-[#6:2](-[#6:1])=[#8:3])=[#8:5].[#6:12]-[#6:13]=[#6:14]-[#6:15]=[#8:16]>>[#6:4](=[#8:5])=[#8:6].[H]-[#6:14](-[#6:13](-[#6:2](-[#6:1])=[#8:3])-[#6:12])-[#6:15]=[#8:16]

EVODEX.1-Cm235 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:6]-[#6:4]-[#6:2].[#6:13]=[#6:14]>>[#6:4]=[#8:6].[H]-[#6:14]-[#6:13]-[#6:2]

EVODEX.1-Nm379 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:6]-[#6:4](-[#6:2](-[#6:1])=[#8:3])=[#8:5].[#6:12]-[#6:13]=[#6:14]-[#6:15]>>[#6:4](=[#8:5])=[#8:6].[H]-[#6:14](-[#6:13](-[#6:2](-[#6:1])=[#8:3])-[#6:12])-[#6:15]

Source Full Reactions

EVODEX.1-R1895

Full Reaction Rendering

[H][O:6][C:4]([C:2]([C:1]([H:24])([H:25])[H:26])=[O:3])=[O:5].[C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[C:13]([C:14](=[O:15])[S:16][C:17]([C:18]([N:19]([C:20]([C:21]([H:27])([H:28])[H:29])=[O:22])[H:30])([H:31])[H:32])([H:33])[H:34])[H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])([H:46])[H:47]>>[C:4](=[O:5])=[O:6].[H][C:13]([C:12]([C:2]([C:1]([H:24])([H:25])[H:26])=[O:3])([C:11]([C:10]([C:9]([C:8]([C:7]([H:45])([H:46])[H:47])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])[H:36])([C:14](=[O:15])[S:16][C:17]([C:18]([N:19]([C:20]([C:21]([H:27])([H:28])[H:29])=[O:22])[H:30])([H:31])[H:32])([H:33])[H:34])[H:35]