EVODEX.1-P4718

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:15]([O:16][C:17](=[O:18])[C@:19]([C:20]([C:21]1:[C:22]([H:34]):[C:23]([H:35]):[C:24]([O:25][H:36]):[C:26]([H:37]):[C:27]:1[H:38])([H:39])[H:40])([N:28]([C:29](=[O:30])[C:31]([C:32]([N:33]([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])[H:47])[H:48])([H:49])([H:50])[H:51].[H][N:6]([C@:5]([C:3]([O:2][C:1]([H:62])([H:63])[H:64])=[O:4])([C:7]([C:8]1:[C:9]([H:54]):[C:10]([H:55]):[C:11]([O:12][H:56]):[C:13]([H:57]):[C:14]:1[H:58])([H:59])[H:60])[H:61])[H:52]>>[H][O:16][C:15]([H:49])([H:50])[H:51].[C:1]([O:2][C:3](=[O:4])[C@:5]([N:6]([C:17](=[O:18])[C@:19]([C:20]([C:21]1:[C:22]([H:34]):[C:23]([H:35]):[C:24]([O:25][H:36]):[C:26]([H:37]):[C:27]:1[H:38])([H:39])[H:40])([N:28]([C:29](=[O:30])[C:31]([C:32]([N:33]([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])[H:47])[H:48])[H:52])([C:7]([C:8]1:[C:9]([H:54]):[C:10]([H:55]):[C:11]([O:12][H:56]):[C:13]([H:57]):[C:14]:1[H:58])([H:59])[H:60])[H:61])([H:62])([H:63])[H:64]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E275 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#6@:5](-[#7:6](-[H:42])-[H])(-[#6:7])-[H:47].[#6:16]-[#8:17]-[#6:18](=[#8:19])-[#6@:20]>>[#6:4]-[#6:5](-[#7:6](-[#6:18](=[#8:19])-[#6@:20])-[H:42])(-[#6:7])-[H:47].[#6:16]-[#8:17]-[H]

EVODEX.1-C10 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-N85 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#8:2]-[#6:3](=[#8:4])-[#6:5].[H]-[#7:12](-[#6@@:13])-[H:43]>>[#6:3](=[#8:4])(-[#6:5])-[#7:12](-[#6@@:13])-[H:43].[H]-[#8:2]-[#6:1]

EVODEX.1-Em118 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#8:2]-[#6:3](=[#8:4])-[#6:5].[H]-[#7:12]-[#6:13]>>[#6:3](=[#8:4])(-[#6:5])-[#7:12]-[#6:13].[H]-[#8:2]-[#6:1]

EVODEX.1-Cm34 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-Nm152 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#8:2]-[#6:3](=[#8:4])-[#6:5].[H]-[#7:12]-[#6:13]>>[#6:3](=[#8:4])(-[#6:5])-[#7:12]-[#6:13].[H]-[#8:2]-[#6:1]

Source Full Reactions

EVODEX.1-R5536

Full Reaction Rendering

[C:15]([O:16][C:17](=[O:18])[C@:19]([C:20]([C:21]1:[C:22]([H:34]):[C:23]([H:35]):[C:24]([O:25][H:36]):[C:26]([H:37]):[C:27]:1[H:38])([H:39])[H:40])([N:28]([C:29](=[O:30])[C:31]([C:32]([N:33]([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])[H:47])[H:48])([H:49])([H:50])[H:51].[H][N:6]([C@:5]([C:3]([O:2][C:1]([H:62])([H:63])[H:64])=[O:4])([C:7]([C:8]1:[C:9]([H:54]):[C:10]([H:55]):[C:11]([O:12][H:56]):[C:13]([H:57]):[C:14]:1[H:58])([H:59])[H:60])[H:61])[H:52]>>[H][O:16][C:15]([H:49])([H:50])[H:51].[C:1]([O:2][C:3](=[O:4])[C@:5]([N:6]([C:17](=[O:18])[C@:19]([C:20]([C:21]1:[C:22]([H:34]):[C:23]([H:35]):[C:24]([O:25][H:36]):[C:26]([H:37]):[C:27]:1[H:38])([H:39])[H:40])([N:28]([C:29](=[O:30])[C:31]([C:32]([N:33]([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])[H:47])[H:48])[H:52])([C:7]([C:8]1:[C:9]([H:54]):[C:10]([H:55]):[C:11]([O:12][H:56]):[C:13]([H:57]):[C:14]:1[H:58])([H:59])[H:60])[H:61])([H:62])([H:63])[H:64]