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EVODEX.1-P3324

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2]1:[C:3]([H:49]):[C:4]([H:50]):[N:5]([C@:6]2([H:51])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:52])[O:14][P:15](=[O:16])([O:17][H:53])[O:18][P:19](=[O:20])([O:21][H:54])[O:22][H:55])([H:56])[H:57])([H:58])[C@:23]([O:24][H:59])([H:60])[C@:25]2([O:26][H:61])[H:62]):[C:27](=[O:28]):[N:29]:1)([H:63])[H:64].[H][O:44][C:43]([C@@:42]1([H:71])[O:41][C@:40]([N:39]2:[C:35]3:[N:34]:[C:33]([H:65]):[N:32]:[C:31]([N:30]([H:76])[H:77]):[C:36]:3:[N:37]:[C:38]:2[H:66])([H:67])[C@@:47]([O:48][H:74])([H:75])[C@@:45]1([O:46][H:72])[H:73])([H:69])[H:70]>>[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:58])[O:7][C@:6]([N:5]2:[C:4]([H:50]):[C:3]([H:49]):[C:2]([N:1]([H:63])[H:64]):[N:29]:[C:27]:2=[O:28])([H:51])[C@@:25]([O:26][H:61])([H:62])[C@@:23]1([O:24][H:59])[H:60])([H:56])[H:57])(=[O:12])[O:13][H:52])(=[O:16])[O:17][H:53].[P:19](=[O:20])([O:21][H:54])([O:22][H:55])[O:44][C:43]([C@@:42]1([H:71])[O:41][C@:40]([N:39]2:[C:35]3:[N:34]:[C:33]([H:65]):[N:32]:[C:31]([N:30]([H:76])[H:77]):[C:36]:3:[N:37]:[C:38]:2[H:66])([H:67])[C@@:47]([O:48][H:74])([H:75])[C@@:45]1([O:46][H:72])[H:73])([H:69])[H:70]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C22 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:10]-[#15:11].[#6@:15]-[#6@:17]).[H]-[#8:35]>>([H]-[#8:10].[#6@@:17]-[#6@@:15]).[#15:11]-[#8:35]

EVODEX.1-N13 - Reaction Operator N

Reaction Operator N SMIRKS

([#15:16]-[#8:19]-[#15:20](=[#8:21])(-[#8:22])-[#8:23].[#8:29]-[#6@@:28](-[#6@@:13])(-[H:74])-[#6@:30](-[#6@:11])(-[#8:31])-[H:76]).[H]-[#8:60]-[#6@:59]>>([H]-[#8:19]-[#15:16].[#8:31]-[#6@:30](-[#6@:11])(-[H:76])-[#6@@:28](-[#6@@:13])(-[#8:29])-[H:74]).[#15:20](=[#8:21])(-[#8:22])(-[#8:23])-[#8:60]-[#6@:59]

EVODEX.1-Em16 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]

EVODEX.1-Cm13 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:21].[#15:45]-[#8:48]>>[#8:21]-[#15:45].[H]-[#8:48]

EVODEX.1-Nm19 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]

Source Full Reactions

EVODEX.1-R3972

Full Reaction Rendering

[N:1]([C:2]1:[C:3]([H:49]):[C:4]([H:50]):[N:5]([C@:6]2([H:51])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:52])[O:14][P:15](=[O:16])([O:17][H:53])[O:18][P:19](=[O:20])([O:21][H:54])[O:22][H:55])([H:56])[H:57])([H:58])[C@:23]([O:24][H:59])([H:60])[C@:25]2([O:26][H:61])[H:62]):[C:27](=[O:28]):[N:29]:1)([H:63])[H:64].[H][O:44][C:43]([C@@:42]1([H:71])[O:41][C@:40]([N:39]2:[C:35]3:[N:34]:[C:33]([H:65]):[N:32]:[C:31]([N:30]([H:76])[H:77]):[C:36]:3:[N:37]:[C:38]:2[H:66])([H:67])[C@@:47]([O:48][H:74])([H:75])[C@@:45]1([O:46][H:72])[H:73])([H:69])[H:70]>>[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:58])[O:7][C@:6]([N:5]2:[C:4]([H:50]):[C:3]([H:49]):[C:2]([N:1]([H:63])[H:64]):[N:29]:[C:27]:2=[O:28])([H:51])[C@@:25]([O:26][H:61])([H:62])[C@@:23]1([O:24][H:59])[H:60])([H:56])[H:57])(=[O:12])[O:13][H:52])(=[O:16])[O:17][H:53].[P:19](=[O:20])([O:21][H:54])([O:22][H:55])[O:44][C:43]([C@@:42]1([H:71])[O:41][C@:40]([N:39]2:[C:35]3:[N:34]:[C:33]([H:65]):[N:32]:[C:31]([N:30]([H:76])[H:77]):[C:36]:3:[N:37]:[C:38]:2[H:66])([H:67])[C@@:47]([O:48][H:74])([H:75])[C@@:45]1([O:46][H:72])[H:73])([H:69])[H:70]