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EVODEX.1-P7157

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:6]([C@:5]([C:4]([C:3]([C:2]([C:1]([H:64])([H:65])[H:66])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([C:7](=[O:8])[O:9][H:56])[H:57])[H:54]>>[H]N([H])[C@@]([H])(C(=O)[N:6]([C@:5]([C:4]([C:3]([C:2]([C:1]([H:64])([H:65])[H:66])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([C:7](=[O:8])[O:9][H:56])[H:57])[H:54])C([H])([H])[H]

Derived Operators

EVODEX.1-F223 - Elemental Balance

O1
C3
N1
H5

EVODEX.1-M74 - Mass Difference

71.03715000000001

EVODEX.1-E938 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:7](-[#6@@:8])(-[H:85])-[H]>>[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7:7](-[#6@@:8])-[H:85])-[H])(-[H])(-[H])-[H]

EVODEX.1-C819 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N1030 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:7](-[#6@@:8])-[H:85]>>[H]-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:7](-[#6@@:8])-[H:85])-[#6](-[H])(-[H])-[H]

EVODEX.1-Em4 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm4 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R7734

Full Reaction Rendering

[C:10]([C@@:11]([N:12]([H:47])[H:48])([C:13](=[O:14])[O:15][H:49])[H:50])([H:51])([H:52])[H:53].[H][N:6]([C@:5]([C:4]([C:3]([C:2]([C:1]([H:64])([H:65])[H:66])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([C:7](=[O:8])[O:9][H:56])[H:57])[H:54].[N:16]([C:17]1:[N:18]:[C:19]([H:67]):[N:20]:[C:21]2:[C:22]:1:[N:23]:[C:24]([H:68]):[N:25]:2[C@:26]1([H:69])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:70])[O:34][P:35](=[O:36])([O:37][H:71])[O:38][P:39](=[O:40])([O:41][H:72])[O:42][H:73])([H:74])[H:75])([H:76])[C@:43]([O:44][H:77])([H:78])[C@:45]1([O:46][H:79])[H:80])([H:81])[H:82]>>[C:1]([C:2]([C:3]([C:4]([C@@:5]([N:6]([C:13]([C@@:11]([C:10]([H:51])([H:52])[H:53])([N:12]([H:47])[H:48])[H:50])=[O:14])[H:54])([C:7](=[O:8])[O:9][H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])([H:65])[H:66].[O:15]([P:35]([O:34][P:31]([O:30][C:29]([C@@:28]1([H:76])[O:27][C@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:67]):[N:18]:[C:17]([N:16]([H:81])[H:82]):[C:22]:3:[N:23]:[C:24]:2[H:68])([H:69])[C@@:45]([O:46][H:79])([H:80])[C@@:43]1([O:44][H:77])[H:78])([H:74])[H:75])(=[O:32])[O:33][H:70])(=[O:36])[O:37][H:71])[H:49].[H][O:38][P:39](=[O:40])([O:41][H:72])[O:42][H:73]