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EVODEX.1-P2307

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:8][C:7]1:[C:6]([H:50]):[C:5]([H:49]):[C:4]([C:3]([C:2]([N:1]([H:58])[H:59])([H:56])[H:57])([H:54])[H:55]):[C:11]([H:53]):[C:9]:1[O:10][H:52].[O:12]=[C:13]([O:14][H:60])[C@@:15]1([H:61])[O:16][C@@:17]([O:18][P:19](=[O:20])([O:21][H:62])[O:22][P:23](=[O:24])([O:25][H:63])[O:26][C:27]([C@@:28]2([H:64])[O:29][C@:30]([N:31]3:[C:32]([H:65]):[C:33]([H:66]):[C:34](=[O:35]):[N:36]([H:67]):[C:37]:3=[O:38])([H:68])[C@@:39]([O:40][H:69])([H:70])[C@@:41]2([O:42][H:71])[H:72])([H:73])[H:74])([H:75])[C@@:43]([O:44][H:76])([H:77])[C@:45]([O:46][H:78])([H:79])[C@@:47]1([O:48][H:80])[H:81]>>[N:1]([C:2]([C:3]([C:4]1:[C:5]([H:49]):[C:6]([H:50]):[C:7]([O:8][C@:17]2([H:75])[O:16][C@@:15]([C:13](=[O:12])[O:14][H:60])([H:61])[C@:47]([O:48][H:80])([H:81])[C@@:45]([O:46][H:78])([H:79])[C@:43]2([O:44][H:76])[H:77]):[C:9]([O:10][H:52]):[C:11]:1[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59].[H][O:18][P:19](=[O:20])([O:21][H:62])[O:22][P:23](=[O:24])([O:25][H:63])[O:26][C:27]([C@@:28]1([H:64])[O:29][C@:30]([N:31]2:[C:32]([H:65]):[C:33]([H:66]):[C:34](=[O:35]):[N:36]([H:67]):[C:37]:2=[O:38])([H:68])[C@@:39]([O:40][H:69])([H:70])[C@@:41]1([O:42][H:71])[H:72])([H:73])[H:74]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C81 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:8]-[#6@:7]-[#6@@:18]-[#6@:20]-[#6@@:22].[H]-[#8:1]>>[#8:1]-[#6:7]-[#6@:18]-[#6@@:20]-[#6@:22].[H]-[#8:8]

EVODEX.1-N1555 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:8]-[#6:7].[#8:16]1-[#6@@:15]-[#6@:47](-[#6@@:45](-[#6@:43](-[#6@:17]-1(-[#8:18]-[#15:19])-[H:75])(-[#8:44])-[H:77])(-[#8:46])-[H:79])(-[#8:48])-[H:81]>>[#6:7]-[#8:8]-[#6@:17]1(-[H:75])-[#8:16]-[#6@@:15]-[#6@:47](-[#8:48])(-[H:81])-[#6@@:45](-[#8:46])(-[H:79])-[#6@:43]-1(-[#8:44])-[H:77].[H]-[#8:18]-[#15:19]

EVODEX.1-Em20 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:15]-[#8:18]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:62]-[#6:61]>>[#6:19](-[#8:62]-[#6:61])(-[#8:20])-[#6:26].[H]-[#8:18]-[#15:15]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm20 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:15]-[#8:18]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:62]-[#6:61]>>[#6:19](-[#8:62]-[#6:61])(-[#8:20])-[#6:26].[H]-[#8:18]-[#15:15]

Source Full Reactions

EVODEX.1-R3034

Full Reaction Rendering

[H][O:8][C:7]1:[C:6]([H:50]):[C:5]([H:49]):[C:4]([C:3]([C:2]([N:1]([H:58])[H:59])([H:56])[H:57])([H:54])[H:55]):[C:11]([H:53]):[C:9]:1[O:10][H:52].[O:12]=[C:13]([O:14][H:60])[C@@:15]1([H:61])[O:16][C@@:17]([O:18][P:19](=[O:20])([O:21][H:62])[O:22][P:23](=[O:24])([O:25][H:63])[O:26][C:27]([C@@:28]2([H:64])[O:29][C@:30]([N:31]3:[C:32]([H:65]):[C:33]([H:66]):[C:34](=[O:35]):[N:36]([H:67]):[C:37]:3=[O:38])([H:68])[C@@:39]([O:40][H:69])([H:70])[C@@:41]2([O:42][H:71])[H:72])([H:73])[H:74])([H:75])[C@@:43]([O:44][H:76])([H:77])[C@:45]([O:46][H:78])([H:79])[C@@:47]1([O:48][H:80])[H:81]>>[N:1]([C:2]([C:3]([C:4]1:[C:5]([H:49]):[C:6]([H:50]):[C:7]([O:8][C@:17]2([H:75])[O:16][C@@:15]([C:13](=[O:12])[O:14][H:60])([H:61])[C@:47]([O:48][H:80])([H:81])[C@@:45]([O:46][H:78])([H:79])[C@:43]2([O:44][H:76])[H:77]):[C:9]([O:10][H:52]):[C:11]:1[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59].[H][O:18][P:19](=[O:20])([O:21][H:62])[O:22][P:23](=[O:24])([O:25][H:63])[O:26][C:27]([C@@:28]1([H:64])[O:29][C@:30]([N:31]2:[C:32]([H:65]):[C:33]([H:66]):[C:34](=[O:35]):[N:36]([H:67]):[C:37]:2=[O:38])([H:68])[C@@:39]([O:40][H:69])([H:70])[C@@:41]1([O:42][H:71])[H:72])([H:73])[H:74]