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EVODEX.1-P2163

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:15]([C:14]([C:13]([C:12]([C@@:10]([C:8]([N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:78])[H:79])=[O:3])([H:76])[H:77])([H:74])[H:75])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]1:[C:23]([H:53]):[C:24]([H:54]):[C:25]([O:26][H:55]):[C:27]([H:56]):[C:28]:1[H:57])([H:58])[H:59])([C:29](=[O:30])[N:31]([C@@:32]([C:33]([C:34]1:[C:35]([H:60]):[C:36]([H:61]):[C:37]([H:62]):[C:38]([H:63]):[C:39]:1[H:64])([H:65])[H:66])([C:40]([N:41]([H:67])[H:68])=[O:42])[H:69])[H:70])[H:71])[H:72])[H:73])[H:52])=[O:9])([N:11]([H:43])[H:44])[H:51])([H:49])[H:50])([H:47])[H:48])=[O:16])[H:45]>>[N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([C:8](=[O:9])[C@:10]1([H:51])[C:12]([H:49])([H:50])[C:13]([H:47])([H:48])[C:14](=[O:16])[N:15]1[H:45])[H:52])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]1:[C:23]([H:53]):[C:24]([H:54]):[C:25]([O:26][H:55]):[C:27]([H:56]):[C:28]:1[H:57])([H:58])[H:59])([C:29](=[O:30])[N:31]([C@@:32]([C:33]([C:34]1:[C:35]([H:60]):[C:36]([H:61]):[C:37]([H:62]):[C:38]([H:63]):[C:39]:1[H:64])([H:65])[H:66])([C:40]([N:41]([H:67])[H:68])=[O:42])[H:69])[H:70])[H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79].[H][N:11]([H:43])[H:44]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E67 - Reaction Operator E

Reaction Operator E SMIRKS

([#7:8](-[#6@@:7])(-[H:19])-[H].[#7:15](-[#6@@:14](-[#6@@:2])(-[#6:16])-[H:34])(-[H:31])-[H:32])>>[#7:8](-[#6@@:7])(-[H:19])-[#6@@:14](-[#6@@:2])(-[#6:16])-[H:34].[#7:15](-[H:31])(-[H:32])-[H]

EVODEX.1-C1233 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#7:15].[#7:11]-[#6@@:10].[#6@@:6])>>([#7:15]-[#6@:10].[#6@:6]).[H]-[#7:11]

EVODEX.1-N1530 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#7:15](-[#6:14])-[H:45].[#6:12]-[#6@@:10](-[#6:8]-[#7:7]-[#6@@:6](-[#6:5])(-[#6:17])-[H:73])(-[#7:11](-[H:43])-[H:44])-[H:51])>>[#6:5]-[#6@:6](-[#7:7]-[#6:8]-[#6@:10](-[H:51])(-[#6:12])-[#7:15](-[#6:14])-[H:45])(-[#6:17])-[H:73].[H]-[#7:11](-[H:43])-[H:44]

EVODEX.1-Em472 - Reaction Operator Em

Reaction Operator Em SMIRKS

([H]-[#7:1]-[#6:2].[#6:5]-[#6:6](-[#7:7])-[#6:8])>>[H]-[#7:7].[#7:1](-[#6:2])-[#6:6](-[#6:5])-[#6:8]

EVODEX.1-Cm101 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#7:9].[#6:4]-[#7:3])>>[#6:4]-[#7:9].[H]-[#7:3]

EVODEX.1-Nm423 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([H]-[#7:1]-[#6:2].[#6:5]-[#6:6](-[#7:7])-[#6:8])>>[H]-[#7:7].[#7:1](-[#6:2])-[#6:6](-[#6:5])-[#6:8]

Source Full Reactions

EVODEX.1-R2910

Full Reaction Rendering

[H][N:15]([C:14]([C:13]([C:12]([C@@:10]([C:8]([N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:78])[H:79])=[O:3])([H:76])[H:77])([H:74])[H:75])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]1:[C:23]([H:53]):[C:24]([H:54]):[C:25]([O:26][H:55]):[C:27]([H:56]):[C:28]:1[H:57])([H:58])[H:59])([C:29](=[O:30])[N:31]([C@@:32]([C:33]([C:34]1:[C:35]([H:60]):[C:36]([H:61]):[C:37]([H:62]):[C:38]([H:63]):[C:39]:1[H:64])([H:65])[H:66])([C:40]([N:41]([H:67])[H:68])=[O:42])[H:69])[H:70])[H:71])[H:72])[H:73])[H:52])=[O:9])([N:11]([H:43])[H:44])[H:51])([H:49])[H:50])([H:47])[H:48])=[O:16])[H:45]>>[N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([C:8](=[O:9])[C@:10]1([H:51])[C:12]([H:49])([H:50])[C:13]([H:47])([H:48])[C:14](=[O:16])[N:15]1[H:45])[H:52])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]1:[C:23]([H:53]):[C:24]([H:54]):[C:25]([O:26][H:55]):[C:27]([H:56]):[C:28]:1[H:57])([H:58])[H:59])([C:29](=[O:30])[N:31]([C@@:32]([C:33]([C:34]1:[C:35]([H:60]):[C:36]([H:61]):[C:37]([H:62]):[C:38]([H:63]):[C:39]:1[H:64])([H:65])[H:66])([C:40]([N:41]([H:67])[H:68])=[O:42])[H:69])[H:70])[H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79].[H][N:11]([H:43])[H:44]