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EVODEX.1-P4019

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:18][C:17]([C:16]([C:15]([H:24])([H:25])[H:26])([H:22])[H:23])([H:20])[H:21].[H]O[C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:48])([H:49])[H:50])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])=[O:13]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:18][C:17]([C:16]([C:15]([H:24])([H:25])[H:26])([H:22])[H:23])([H:20])[H:21])([H:28])[H:29])([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])([H:48])([H:49])[H:50]

Derived Operators

EVODEX.1-F33 - Elemental Balance

O-1
H-2

EVODEX.1-M4 - Mass Difference

-18.010559999999998

EVODEX.1-E490 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#8:7]-[H].[#6:11](-[#6@@:9])(=[#8:12])-[#8]-[H]>>[#6:5]-[#8:7]-[#6:11](-[#6@@:9])=[#8:12]

EVODEX.1-C88 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:7].[H]-[#8]-[#6:11]>>[#8:7]-[#6:11]

EVODEX.1-N640 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:7]-[#6:5].[H]-[#8]-[#6:11](-[#6@@:9])=[#8:12]>>[#6:5]-[#8:7]-[#6:11](-[#6@@:9])=[#8:12]

EVODEX.1-Em606 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:7]-[#6:5].[H]-[#8]-[#6:11](-[#6:9])=[#8:12]>>[#6:5]-[#8:7]-[#6:11](-[#6:9])=[#8:12]

EVODEX.1-Cm6 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:7].[#8]-[#6:11]>>[#8:7]-[#6:11]

EVODEX.1-Nm541 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:7]-[#6:5].[H]-[#8]-[#6:11](-[#6:9])=[#8:12]>>[#6:5]-[#8:7]-[#6:11](-[#6:9])=[#8:12]

Source Full Reactions

EVODEX.1-R4863

Full Reaction Rendering

[H][O:18][C:17]([C:16]([C:15]([H:24])([H:25])[H:26])([H:22])[H:23])([H:20])[H:21].[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:14][H:27])([H:28])[H:29])([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])([H:48])([H:49])[H:50]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:18][C:17]([C:16]([C:15]([H:24])([H:25])[H:26])([H:22])[H:23])([H:20])[H:21])([H:28])[H:29])([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])([H:48])([H:49])[H:50].[H][O:14][H:27]