EVODEX.1-P2648

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-C6 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#16:48].[#6:51]-[#8:53]>>[#16:48]-[#6:51].[H]-[#8:53]

EVODEX.1-N1097 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#16:18]-[#6:17].[#6:2]-[#8:4]-[#6:5](-[#6:6])(-[H:34])-[H:35]>>[#6:5](-[#6:6])(-[#16:18]-[#6:17])(-[H:34])-[H:35].[H]-[#8:4]-[#6:2]

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-R3384

Full Reaction Rendering

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