EVODEX.1-P4325

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:2]=[C:3]([C@:4]([O:5][H:23])([C@@:6]([O:7][C@:8]1([H:24])[O:9][C@@:10]([C:11]([O:12][H:25])([H:26])[H:27])([H:28])[C@@:13]([O:14][H:29])([H:30])[C@@:15]([O:16][H:31])([H:32])[C@:17]1([O:18][H:33])[H:34])([C@:19]([O:20][H:35])([C:21]([O:22][H:36])([H:37])[H:38])[H:39])[H:40])[H:41])[H:42].[H][O:1][H:43]>>[O:1]([C@:6]([C@:4]([C:3](=[O:2])[H:42])([O:5][H:23])[H:41])([C@:19]([O:20][H:35])([C:21]([O:22][H:36])([H:37])[H:38])[H:39])[H:40])[H:43].[H][O:7][C:8]1([H:24])[O:9][C@@:10]([C:11]([O:12][H:25])([H:26])[H:27])([H:28])[C@@:13]([O:14][H:29])([H:30])[C@@:15]([O:16][H:31])([H:32])[C@:17]1([O:18][H:33])[H:34]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E246 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:9](-[#6@@:8](-[#6@@:6])(-[#6@:25])-[H:48])-[#6@:10](-[H:31])(-[#8:11])-[#6@:23].[#8:1](-[H:52])-[H]>>[#8:1](-[#6@@:8](-[#6@@:6])(-[#6@:25])-[H:48])-[H:52].[#8:9](-[#6:10](-[H:31])(-[#8:11])-[#6@:23])-[H]

EVODEX.1-C37 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:19]-[#8:20]-[#6@@:21].[H]-[#8:35]>>[#6:19]-[#8:35].[H]-[#8:20]-[#6:21]

EVODEX.1-N668 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:37](-[#6@:36](-[#6@@:27])(-[#6@@:34])-[H:149])-[#6@@:38](-[H:138])(-[#8:39])-[#6@@:47].[H]-[#8:118]-[H:227]>>[#8:118](-[#6@:36](-[#6@@:27])(-[#6@@:34])-[H:149])-[H:227].[H]-[#8:37]-[#6:38](-[H:138])(-[#8:39])-[#6@@:47]

EVODEX.1-Em119 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:8](-[#8:9]-[#6:10])-[#6:20].[H]-[#8:24]>>[#6:5]-[#6:8](-[#8:24])-[#6:20].[H]-[#8:9]-[#6:10]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm153 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:8](-[#8:9]-[#6:10])-[#6:20].[H]-[#8:24]>>[#6:5]-[#6:8](-[#8:24])-[#6:20].[H]-[#8:9]-[#6:10]

Source Full Reactions

EVODEX.1-R5171

Full Reaction Rendering

[O:2]=[C:3]([C@:4]([O:5][H:23])([C@@:6]([O:7][C@:8]1([H:24])[O:9][C@@:10]([C:11]([O:12][H:25])([H:26])[H:27])([H:28])[C@@:13]([O:14][H:29])([H:30])[C@@:15]([O:16][H:31])([H:32])[C@:17]1([O:18][H:33])[H:34])([C@:19]([O:20][H:35])([C:21]([O:22][H:36])([H:37])[H:38])[H:39])[H:40])[H:41])[H:42].[H][O:1][H:43]>>[O:1]([C@:6]([C@:4]([C:3](=[O:2])[H:42])([O:5][H:23])[H:41])([C@:19]([O:20][H:35])([C:21]([O:22][H:36])([H:37])[H:38])[H:39])[H:40])[H:43].[H][O:7][C:8]1([H:24])[O:9][C@@:10]([C:11]([O:12][H:25])([H:26])[H:27])([H:28])[C@@:13]([O:14][H:29])([H:30])[C@@:15]([O:16][H:31])([H:32])[C@:17]1([O:18][H:33])[H:34]