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EVODEX.1-P4823

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)[N:9]([C:8]1:[C:7]([H:29]):[C:6]2:[C:24](:[C:23]([H:45]):[C:22]:1[H:44])[C:2]([C:1]([H:46])([H:47])[H:48])=[C:3]([H:26])[C:4]([H:27])([H:28])[O:5]2)[H:43])C([H])([H])[H]>>[H][N:9]([C:8]1:[C:7]([H:29]):[C:6]2:[C:24](:[C:23]([H:45]):[C:22]:1[H:44])[C:2]([C:1]([H:46])([H:47])[H:48])=[C:3]([H:26])[C:4]([H:27])([H:28])[O:5]2)[H:43]

Derived Operators

EVODEX.1-F484 - Elemental Balance

O-2
C-8
N-2
H-12

EVODEX.1-M461 - Mass Difference

-168.08996000000002

EVODEX.1-E1300 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@]-1(-[#6](=[#8])-[#7:13](-[#6:14])-[H:59])-[H])-[H])(-[H])(-[H])-[H]>>[#7:13](-[#6:14])(-[H:59])-[H]

EVODEX.1-C592 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:13])-[#6](-[H])(-[H])-[H]>>[H]-[#7:13]

EVODEX.1-N748 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:13](-[#6:14])-[H:83])-[#6](-[H])(-[H])-[H]>>[H]-[#7:13](-[#6:14])-[H:83]

EVODEX.1-Em1 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](=[#8])-[#7:7]-[#6:8]>>[H]-[#7:7]-[#6:8]

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm1 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](=[#8])-[#7:7]-[#6:8]>>[H]-[#7:7]-[#6:8]

Source Full Reactions

EVODEX.1-R5622

Full Reaction Rendering

[C:1]([C:2]1=[C:3]([H:26])[C:4]([H:27])([H:28])[O:5][C:6]2:[C:7]([H:29]):[C:8]([N:9]([C:10](=[O:11])[C@:12]3([H:30])[C:13]([H:31])([H:32])[C:14]([H:33])([H:34])[C:15]([H:35])([H:36])[N:16]3[C:17](=[O:18])[C@:19]([C:20]([H:37])([H:38])[H:39])([N:21]([H:40])[H:41])[H:42])[H:43]):[C:22]([H:44]):[C:23]([H:45]):[C:24]:21)([H:46])([H:47])[H:48].[H][O:25][H:49]>>[C:10](=[O:11])([C@:12]1([H:30])[C:13]([H:31])([H:32])[C:14]([H:33])([H:34])[C:15]([H:35])([H:36])[N:16]1[C:17](=[O:18])[C@:19]([C:20]([H:37])([H:38])[H:39])([N:21]([H:40])[H:41])[H:42])[O:25][H:49].[H][N:9]([C:8]1:[C:7]([H:29]):[C:6]2:[C:24](:[C:23]([H:45]):[C:22]:1[H:44])[C:2]([C:1]([H:46])([H:47])[H:48])=[C:3]([H:26])[C:4]([H:27])([H:28])[O:5]2)[H:43]