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EVODEX.1-P3663

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:15][C@@:14]1([C:16](=[O:17])[O:18][H:64])[O:13][C@:6]([C@:7]([O:8][H:55])([C@:9]([O:10][H:56])([C:11]([O:12][H:57])([H:58])[H:59])[H:60])[H:61])([H:62])[C@@:5]([N:4]([C:2]([C:1]([H:72])([H:73])[H:74])=[O:3])[H:71])([H:54])[C@:20]([O:21][C:22]([C:23]([H:67])([H:68])[H:69])=[O:24])([H:70])[C:19]1([H:65])[H:66]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(N([H])[H]):N:C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:15][C@@:14]1([C:16](=[O:17])[O:18][H:64])[O:13][C@:6]([C@:7]([O:8][H:55])([C@:9]([O:10][H:56])([C:11]([O:12][H:57])([H:58])[H:59])[H:60])[H:61])([H:62])[C@@:5]([N:4]([C:2]([C:1]([H:72])([H:73])[H:74])=[O:3])[H:71])([H:54])[C@:20]([O:21][C:22]([C:23]([H:67])([H:68])[H:69])=[O:24])([H:70])[C:19]1([H:65])[H:66]

Derived Operators

EVODEX.1-F459 - Elemental Balance

P1
O7
C9
N3
H12

EVODEX.1-M163 - Mass Difference

305.04136

EVODEX.1-E1270 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:32]-[#8:33]-[H]>>[#6:32]-[#8:33]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H]

EVODEX.1-C129 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:13]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:13]

EVODEX.1-N587 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:13]-[#6:12]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:13]-[#6:12]

EVODEX.1-Em26 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:34]-[#6:33]>>[#8]-[#15](=[#8])(-[#8])-[#8:34]-[#6:33]

EVODEX.1-Cm15 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:27]>>[#15]-[#8:27]

EVODEX.1-Nm26 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:34]-[#6:33]>>[#8]-[#15](=[#8])(-[#8])-[#8:34]-[#6:33]

Source Full Reactions

EVODEX.1-R4443

Full Reaction Rendering

[H][O:15][C@@:14]1([C:16](=[O:17])[O:18][H:64])[O:13][C@:6]([C@:7]([O:8][H:55])([C@:9]([O:10][H:56])([C:11]([O:12][H:57])([H:58])[H:59])[H:60])[H:61])([H:62])[C@@:5]([N:4]([C:2]([C:1]([H:72])([H:73])[H:74])=[O:3])[H:71])([H:54])[C@:20]([O:21][C:22]([C:23]([H:67])([H:68])[H:69])=[O:24])([H:70])[C:19]1([H:65])[H:66].[N:25]([C:26]1:[C:27]([H:75]):[C:28]([H:76]):[N:29]([C@:30]2([H:77])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:78])[O:38][P:39](=[O:40])([O:41][H:79])[O:42][P:43](=[O:44])([O:45][H:80])[O:46][H:81])([H:82])[H:83])([H:84])[C@:47]([O:48][H:85])([H:86])[C@:49]2([O:50][H:87])[H:88]):[C:51](=[O:52]):[N:53]:1)([H:89])[H:90]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:54])[C@@:6]([C@:7]([O:8][H:55])([C@:9]([O:10][H:56])([C:11]([O:12][H:57])([H:58])[H:59])[H:60])[H:61])([H:62])[O:13][C@@:14]([O:15][P:35]([O:34][C:33]([C@@:32]2([H:84])[O:31][C@:30]([N:29]3:[C:28]([H:76]):[C:27]([H:75]):[C:26]([N:25]([H:89])[H:90]):[N:53]:[C:51]:3=[O:52])([H:77])[C@@:49]([O:50][H:87])([H:88])[C@@:47]2([O:48][H:85])[H:86])([H:82])[H:83])(=[O:36])[O:37][H:78])([C:16](=[O:17])[O:18][H:64])[C:19]([H:65])([H:66])[C@@:20]1([O:21][C:22]([C:23]([H:67])([H:68])[H:69])=[O:24])[H:70])[H:71])([H:72])([H:73])[H:74].[H][O:38][P:39](=[O:40])([O:41][H:79])[O:42][P:43](=[O:44])([O:45][H:80])[O:46][H:81]