EVODEX.1-P2626

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:11]([C:12](=[O:13])[O:14][C:15]([C:16]([C@:17]([N:18]([H:22])[H:23])([C:19](=[O:20])[O:21][H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32].[H][S:7][C:6]([C@:5]([N:4]([C:2]([C:1]([H:39])([H:40])[H:41])=[O:3])[H:38])([C:8](=[O:9])[O:10][H:36])[H:37])([H:34])[H:35]>>[H][O:14][C:12]([C:11]([H:30])([H:31])[H:32])=[O:13].[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([S:7][C:15]([C:16]([C@:17]([N:18]([H:22])[H:23])([C:19](=[O:20])[O:21][H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:34])[H:35])([C:8](=[O:9])[O:10][H:36])[H:37])[H:38])([H:39])([H:40])[H:41]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E173 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:13]-[#16:15]-[H].[#6:2]-[#8:4]-[#6:5](-[#6:6])(-[H:26])-[H:27]>>[#6:5](-[#6:6])(-[#16:15]-[#6:13])(-[H:26])-[H:27].[#6:2]-[#8:4]-[H]

EVODEX.1-C1280 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:14]-[#6:15].([H]-[#16:7].[#6@:5])>>[H]-[#8:14].([#16:7]-[#6:15].[#6@@:5])

EVODEX.1-N1595 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:12]-[#8:14]-[#6:15](-[#6:16])(-[H:28])-[H:29].[H]-[#16:7]-[#6:6]-[#6@:5](-[#7:4])(-[#6:8])-[H:37]>>[H]-[#8:14]-[#6:12].[#7:4]-[#6@@:5](-[#6:6]-[#16:7]-[#6:15](-[#6:16])(-[H:28])-[H:29])(-[#6:8])-[H:37]

EVODEX.1-Em520 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#16:18]-[#6:17].[#6:2]-[#8:4]-[#6:5]-[#6:6]>>[#6:5](-[#6:6])-[#16:18]-[#6:17].[H]-[#8:4]-[#6:2]

EVODEX.1-Cm25 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#16:48].[#8:67]-[#6:68]>>[#16:48]-[#6:68].[H]-[#8:67]

EVODEX.1-Nm471 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#16:18]-[#6:17].[#6:2]-[#8:4]-[#6:5]-[#6:6]>>[#6:5](-[#6:6])-[#16:18]-[#6:17].[H]-[#8:4]-[#6:2]

Source Full Reactions

EVODEX.1-R3366

Full Reaction Rendering

[C:11]([C:12](=[O:13])[O:14][C:15]([C:16]([C@:17]([N:18]([H:22])[H:23])([C:19](=[O:20])[O:21][H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32].[H][S:7][C:6]([C@:5]([N:4]([C:2]([C:1]([H:39])([H:40])[H:41])=[O:3])[H:38])([C:8](=[O:9])[O:10][H:36])[H:37])([H:34])[H:35]>>[H][O:14][C:12]([C:11]([H:30])([H:31])[H:32])=[O:13].[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([S:7][C:15]([C:16]([C@:17]([N:18]([H:22])[H:23])([C:19](=[O:20])[O:21][H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:34])[H:35])([C:8](=[O:9])[O:10][H:36])[H:37])[H:38])([H:39])([H:40])[H:41]