EVODEX.1-P2627

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:21][C:19]([C:18]([H:23])([H:24])[H:25])=[O:20].[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([S:7][C:8]([C:9]([C@:10]([N:11]([H:26])[H:27])([C:12](=[O:13])[O:14][H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([C:15](=[O:16])[O:17][H:36])[H:37])[H:38])([H:39])([H:40])[H:41]>>[C:8]([C:9]([C@:10]([N:11]([H:26])[H:27])([C:12](=[O:13])[O:14][H:28])[H:29])([H:30])[H:31])([O:21][C:19]([C:18]([H:23])([H:24])[H:25])=[O:20])([H:32])[H:33].[H][S:7][C:6]([C@:5]([N:4]([C:2]([C:1]([H:39])([H:40])[H:41])=[O:3])[H:38])([C:15](=[O:16])[O:17][H:36])[H:37])([H:34])[H:35]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E174 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#6:4](-[#16:5]-[#6:6])(-[H:28])-[H:29].[#8:15](-[#6:16])-[H]>>[#6:3]-[#6:4](-[#8:15]-[#6:16])(-[H:28])-[H:29].[#16:5](-[#6:6])-[H]

EVODEX.1-C1281 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:21].([#16:7]-[#6:8].[#6@@:5])>>[#6:8]-[#8:21].([H]-[#16:7].[#6@:5])

EVODEX.1-N1596 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:21]-[#6:19].[#7:4]-[#6@@:5](-[#6:6]-[#16:7]-[#6:8](-[#6:9])(-[H:32])-[H:33])(-[#6:15])-[H:37]>>[#6:8](-[#6:9])(-[#8:21]-[#6:19])(-[H:32])-[H:33].[H]-[#16:7]-[#6:6]-[#6@:5](-[#7:4])(-[#6:15])-[H:37]

EVODEX.1-Em521 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:4]-[#6:2].[#6:6]-[#16:8]-[#6:9]-[#6:10]>>[#6:2]-[#8:4]-[#6:9]-[#6:10].[H]-[#16:8]-[#6:6]

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-Nm472 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:4]-[#6:2].[#6:6]-[#16:8]-[#6:9]-[#6:10]>>[#6:2]-[#8:4]-[#6:9]-[#6:10].[H]-[#16:8]-[#6:6]

Source Full Reactions

EVODEX.1-R3367

Full Reaction Rendering

[H][O:21][C:19]([C:18]([H:23])([H:24])[H:25])=[O:20].[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([S:7][C:8]([C:9]([C@:10]([N:11]([H:26])[H:27])([C:12](=[O:13])[O:14][H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([C:15](=[O:16])[O:17][H:36])[H:37])[H:38])([H:39])([H:40])[H:41]>>[C:8]([C:9]([C@:10]([N:11]([H:26])[H:27])([C:12](=[O:13])[O:14][H:28])[H:29])([H:30])[H:31])([O:21][C:19]([C:18]([H:23])([H:24])[H:25])=[O:20])([H:32])[H:33].[H][S:7][C:6]([C@:5]([N:4]([C:2]([C:1]([H:39])([H:40])[H:41])=[O:3])[H:38])([C:15](=[O:16])[O:17][H:36])[H:37])([H:34])[H:35]