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EVODEX.1-P5601

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[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][H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51])[H:52])([H:53])[H:54])[H:55])[H:56])([H:57])[H:58])[H:59])[H:60])([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]OC([H])([H])[C@]([H])(N([H])[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:71])([H:72])[H:73])([H:69])[H:70])[H:68])[H:67])([H:65])[H:66])[H:64])[H:63])([H:61])[H:62])[H:60])[H:59])([H:57])[H:58])[H:56])[H:55])([H:53])[H:54])[H:52])[H:51])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])=[O:21])[C@]([H])(O[H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H].[H][O:22][H:44]

Derived Operators

EVODEX.1-F350 - Elemental Balance

C18
O2
N1
H37

EVODEX.1-M151 - Mass Difference

299.28261000000003

EVODEX.1-E1140 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:17]-[#6:18](=[#8:19])-[#8:20]-[H:42]>>[#6:17]-[#6:18](=[#8:19])-[#7](-[#6@](-[#6@@](-[#6](=[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[#8]-[H])-[H])(-[#6](-[#8]-[H])(-[H])-[H])-[H])-[H].[#8:20](-[H:42])-[H]

EVODEX.1-C692 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:20]-[#8:22]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@](-[H])(-[#7](-[H])-[#6:20])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:22]

EVODEX.1-N856 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:19]-[#6:20](=[#8:21])-[#8:22]-[H:44]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@](-[H])(-[#7](-[H])-[#6:20](-[#6:19])=[#8:21])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:22]-[H:44]

EVODEX.1-Em71 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:19]-[#6:20](=[#8:21])-[#8:22]>>[#6]-[#7](-[H])-[#6:20](-[#6:19])=[#8:21].[H]-[#8:22]

EVODEX.1-Cm83 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm85 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:19]-[#6:20](=[#8:21])-[#8:22]>>[#6]-[#7](-[H])-[#6:20](-[#6:19])=[#8:21].[H]-[#8:22]

Source Full Reactions

EVODEX.1-R6332

Full Reaction Rendering

[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][H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51])[H:52])([H:53])[H:54])[H:55])[H:56])([H:57])[H:58])[H:59])[H:60])([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][N:41]([C@:40]([C@@:38]([C:37](=[C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([H:108])([H:109])[H:110])([H:106])[H:107])([H:104])[H:105])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])([H:84])[H:85])[H:83])[H:82])([O:39][H:74])[H:81])([C:42]([O:43][H:77])([H:78])[H:79])[H:80])[H:75]>>[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])[N:41]([C@:40]([C@@:38]([C:37](=[C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([H:108])([H:109])[H:110])([H:106])[H:107])([H:104])[H:105])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])([H:84])[H:85])[H:83])[H:82])([O:39][H:74])[H:81])([C:42]([O:43][H:77])([H:78])[H:79])[H:80])[H:75])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51])[H:52])([H:53])[H:54])[H:55])[H:56])([H:57])[H:58])[H:59])[H:60])([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][O:22][H:44]