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EVODEX.1-P3473

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:27][C:26]([C:24]([C:23]([O:22][C:20]([C:19]([C:18]([C:17]([C:16](=[C:15]([C:14]([C:13](=[C:12]([C:11]([C:10](=[C:9]([C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:94])([H:95])[H:96])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])[H:85])[H:84])([H:82])[H:83])[H:81])[H:80])([H:78])[H:79])[H:77])[H:76])([H:74])[H:75])[H:73])[H:72])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])=[O:21])([H:64])[H:65])([O:25][H:59])[H:63])([H:61])[H:62]>>[H]OP(=O)(O[H])[O:27][C:26]([C:24]([C:23]([O:22][C:20]([C:19]([C:18]([C:17]([C:16](=[C:15]([C:14]([C:13](=[C:12]([C:11]([C:10](=[C:9]([C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:94])([H:95])[H:96])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])[H:85])[H:84])([H:82])[H:83])[H:81])[H:80])([H:78])[H:79])[H:77])[H:76])([H:74])[H:75])[H:73])[H:72])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])=[O:21])([H:64])[H:65])([O:25][H:59])[H:63])([H:61])[H:62]

Derived Operators

EVODEX.1-F273 - Elemental Balance

P1
O3
H1

EVODEX.1-M13 - Mass Difference

79.96633

EVODEX.1-E1023 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:53]-[#8:55]-[H]>>[#6:53]-[#8:55]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]

EVODEX.1-C15 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:18]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:18]

EVODEX.1-N12 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:27]-[#6:26]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:27]-[#6:26]

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-R4160

Full Reaction Rendering

[H][O:27][C:26]([C:24]([C:23]([O:22][C:20]([C:19]([C:18]([C:17]([C:16](=[C:15]([C:14]([C:13](=[C:12]([C:11]([C:10](=[C:9]([C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:94])([H:95])[H:96])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])[H:85])[H:84])([H:82])[H:83])[H:81])[H:80])([H:78])[H:79])[H:77])[H:76])([H:74])[H:75])[H:73])[H:72])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])=[O:21])([H:64])[H:65])([O:25][H:59])[H:63])([H:61])[H:62].[N:28]([C:29]1:[N:30]:[C:31]([H:97]):[N:32]:[C:33]2:[C:34]:1:[N:35]:[C:36]([H:98]):[N:37]:2[C@:38]1([H:99])[O:39][C@@:40]([C:41]([O:42][P:43](=[O:44])([O:45][H:100])[O:46][P:47](=[O:48])([O:49][H:101])[O:50][P:51](=[O:52])([O:53][H:102])[O:54][H:103])([H:104])[H:105])([H:106])[C@:55]([O:56][H:107])([H:108])[C@:57]1([O:58][H:109])[H:110])([H:111])[H:112]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12](=[C:13]([C:14]([C:15](=[C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[O:22][C:23]([C:24]([O:25][H:59])([C:26]([O:27][P:51](=[O:52])([O:53][H:102])[O:54][H:103])([H:61])[H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])[H:72])[H:73])([H:74])[H:75])[H:76])[H:77])([H:78])[H:79])[H:80])[H:81])([H:82])[H:83])[H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])([H:95])[H:96].[H][O:50][P:47]([O:46][P:43]([O:42][C:41]([C@@:40]1([H:106])[O:39][C@:38]([N:37]2:[C:33]3:[N:32]:[C:31]([H:97]):[N:30]:[C:29]([N:28]([H:111])[H:112]):[C:34]:3:[N:35]:[C:36]:2[H:98])([H:99])[C@@:57]([O:58][H:109])([H:110])[C@@:55]1([O:56][H:107])[H:108])([H:104])[H:105])(=[O:44])[O:45][H:100])(=[O:48])[O:49][H:101]