EVODEX.1-P4701 - Partial Reaction

SMIRKS

[H][N:6]([C@@:5]([C:3]([O:2][C:1]([H:35])([H:36])[H:37])=[O:4])([C:7]([C:8]([H:27])([H:28])[H:29])([C:9]([H:30])([H:31])[H:32])[H:33])[H:34])[H:25]>>[H]N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)[N:6]([C@@:5]([C:3]([O:2][C:1]([H:35])([H:36])[H:37])=[O:4])([C:7]([C:8]([H:27])([H:28])[H:29])([C:9]([H:30])([H:31])[H:32])[H:33])[H:34])[H:25]

Derived Operators

EVODEX.1-F159 - Elemental Balance

O	1
C	5
N	1
H	7

EVODEX.1-M258 - Mass Difference

97.05281

EVODEX.1-E823 - Reaction Operator E

[#7:5](-[#6@:4])(-[H:51])-[H]>>[#7:5](-[#6@:4])(-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[H])-[H:51]

EVODEX.1-C581 - Reaction Operator C

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

EVODEX.1-N737 - Reaction Operator N

[H]-[#7:6](-[#6@@:5])-[H:52]>>[H]-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:52]

EVODEX.1-Em4 - Reaction Operator Em

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

EVODEX.1-Cm5 - Reaction Operator Cm

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

EVODEX.1-Nm4 - Reaction Operator Nm

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

Source Full Reactions

EVODEX.1-R5519

[H][N:6]([C@@:5]([C:3]([O:2][C:1]([H:35])([H:36])[H:37])=[O:4])([C:7]([C:8]([H:27])([H:28])[H:29])([C:9]([H:30])([H:31])[H:32])[H:33])[H:34])[H:25].[O:10]=[C:11]([O:12][C:13]([C:14]1:[C:15]([H:38]):[C:16]([H:39]):[C:17]([H:40]):[C:18]([H:41]):[C:19]:1[H:42])([H:43])[H:44])[C@:20]1([H:45])[C:21]([H:46])([H:47])[C:22]([H:48])([H:49])[C:23]([H:50])([H:51])[N:24]1[H:52]>>[C:1]([O:2][C:3](=[O:4])[C@:5]([N:6]([C:11](=[O:10])[C@:20]1([H:45])[C:21]([H:46])([H:47])[C:22]([H:48])([H:49])[C:23]([H:50])([H:51])[N:24]1[H:52])[H:25])([C:7]([C:8]([H:27])([H:28])[H:29])([C:9]([H:30])([H:31])[H:32])[H:33])[H:34])([H:35])([H:36])[H:37].[H][O:12][C:13]([C:14]1:[C:15]([H:38]):[C:16]([H:39]):[C:17]([H:40]):[C:18]([H:41]):[C:19]:1[H:42])([H:43])[H:44]