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EVODEX.1-P897

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:5]([C:4]([C:3]([C:2]([C:1]([H:72])([H:73])[H:74])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])([N:6]([H:58])[H:59])[C:7]1:[C:8]([H:60]):[C:9]([H:61]):[C:10]([H:62]):[C:11]([H:63]):[C:12]:1[H:64].[H][O:57][H]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:7]1:[C:8]([H:60]):[C:9]([H:61]):[C:10]([H:62]):[C:11]([H:63]):[C:12]:1[H:64])=[O:57])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])([H:73])[H:74].[H][N:6]([H:58])[H:59]

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-E50 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1](-[#6:2](-[#6:3])(-[#6:9])-[H])(-[H:29])-[H:30].[#8:15](-[H])-[H]>>[#6:2](-[#6:3])(-[#6:9])=[#8:15].[#7:1](-[H:29])(-[H:30])-[H]

EVODEX.1-C19 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1]-[#7:2].[H]-[#8:12]-[H]>>[#6:1]=[#8:12].[H]-[#7:2]

EVODEX.1-N38 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@@:2](-[#7:1](-[H:36])-[H:37])(-[#6:3])-[#6:14].[H]-[#8:17]-[H]>>[#6:2](-[#6:3])(-[#6:14])=[#8:17].[H]-[#7:1](-[H:36])-[H:37]

EVODEX.1-Em331 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:6](-[#6:5])(-[#6:7])-[#7:8].[H]-[#8:9]-[H]>>[#6:5]-[#6:6](-[#6:7])=[#8:9].[H]-[#7:8]

EVODEX.1-Cm56 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1]-[#7:2].[H]-[#8:12]-[H]>>[#6:1]=[#8:12].[H]-[#7:2]

EVODEX.1-Nm110 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14].[H]-[#8:17]-[H]>>[#6:2](-[#6:3])(-[#6:14])=[#8:17].[H]-[#7:1]

Source Full Reactions

EVODEX.1-R875

Full Reaction Rendering

[H][C:5]([C:4]([C:3]([C:2]([C:1]([H:72])([H:73])[H:74])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])([N:6]([H:58])[H:59])[C:7]1:[C:8]([H:60]):[C:9]([H:61]):[C:10]([H:62]):[C:11]([H:63]):[C:12]:1[H:64].[N:13]([C:14](=[O:15])[C:16]1:[C:17]([H:75]):[C:18]([H:76]):[C:19]([H:77]):[N+:20]([C@:21]2([H:78])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:79])[O:29][P:30](=[O:31])([O:32][H:80])[O:33][C:34]([C@@:35]3([H:81])[O:36][C@:37]([N:38]4:[C:39]([H:82]):[N:40]:[C:41]5:[C:42]([N:43]([H:83])[H:84]):[N:44]:[C:45]([H:85]):[N:46]:[C:47]:4:5)([H:86])[C@@:48]([O:49][H:87])([H:88])[C@@:50]3([O:51][H:89])[H:90])([H:91])[H:92])([H:93])[H:94])([H:95])[C@:52]([O:53][H:96])([H:97])[C@:54]2([O:55][H:98])[H:99]):[C:56]:1[H:100])([H:101])[H:102].[H][O:57][H]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:7]1:[C:8]([H:60]):[C:9]([H:61]):[C:10]([H:62]):[C:11]([H:63]):[C:12]:1[H:64])=[O:57])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])([H:73])[H:74].[HH].[H][C:17]1([H:75])[C:16]([C:14]([N:13]([H:101])[H:102])=[O:15])=[C:56]([H:100])[N:20]([C@:21]2([H:78])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:79])[O:29][P:30](=[O:31])([O:32][H:80])[O:33][C:34]([C@@:35]3([H:81])[O:36][C@:37]([N:38]4:[C:39]([H:82]):[N:40]:[C:41]5:[C:42]([N:43]([H:83])[H:84]):[N:44]:[C:45]([H:85]):[N:46]:[C:47]:4:5)([H:86])[C@@:48]([O:49][H:87])([H:88])[C@@:50]3([O:51][H:89])[H:90])([H:91])[H:92])([H:93])[H:94])([H:95])[C@:52]([O:53][H:96])([H:97])[C@:54]2([O:55][H:98])[H:99])[C:19]([H:77])=[C:18]1[H:76].[H][N:6]([H:58])[H:59]