EVODEX.1-P5599

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]([C:21]([C:22](=[O:23])[O:24][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:74])([H:75])([H:76])[H:77].[H][N:43]([C@:42]([C@@:40]([C:39](=[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]([H:112])([H:113])[H:114])([H:110])[H:111])([H:108])[H:109])([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:87])[H:86])([O:41][H:78])[H:85])([C:44]([O:45][H:81])([H:82])[H:83])[H:84])[H:79]>>[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]([C:21]([C:22](=[O:23])[N:43]([C@:42]([C@@:40]([C:39](=[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]([H:112])([H:113])[H:114])([H:110])[H:111])([H:108])[H:109])([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:87])[H:86])([O:41][H:78])[H:85])([C:44]([O:45][H:81])([H:82])[H:83])[H:84])[H:79])([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:74])([H:75])([H:76])[H:77].[H][O:24][H:46]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E253 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4]-[H:14].[#6:8]-[#6@@:9](-[#7:10](-[H:18])-[H])(-[#6:11])-[H:21]>>[#6:1]-[#6:2](=[#8:3])-[#7:10](-[#6@:9](-[#6:8])(-[#6:11])-[H:21])-[H:18].[#8:4](-[H:14])-[H]

EVODEX.1-C10 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-N14 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4]-[H:22].[H]-[#7:19](-[#6:18])-[H:28]>>[#6:1]-[#6:2](=[#8:3])-[#7:19](-[#6:18])-[H:28].[H]-[#8:4]-[H:22]

EVODEX.1-Em54 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4].[H]-[#7:19]-[#6:18]>>[#6:1]-[#6:2](=[#8:3])-[#7:19]-[#6:18].[H]-[#8:4]

EVODEX.1-Cm34 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-Nm61 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4].[H]-[#7:19]-[#6:18]>>[#6:1]-[#6:2](=[#8:3])-[#7:19]-[#6:18].[H]-[#8:4]

Source Full Reactions

EVODEX.1-R6330

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]([C:21]([C:22](=[O:23])[O:24][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:74])([H:75])([H:76])[H:77].[H][N:43]([C@:42]([C@@:40]([C:39](=[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]([H:112])([H:113])[H:114])([H:110])[H:111])([H:108])[H:109])([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:87])[H:86])([O:41][H:78])[H:85])([C:44]([O:45][H:81])([H:82])[H:83])[H:84])[H:79]>>[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]([C:21]([C:22](=[O:23])[N:43]([C@:42]([C@@:40]([C:39](=[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]([H:112])([H:113])[H:114])([H:110])[H:111])([H:108])[H:109])([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:87])[H:86])([O:41][H:78])[H:85])([C:44]([O:45][H:81])([H:82])[H:83])[H:84])[H:79])([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:74])([H:75])([H:76])[H:77].[H][O:24][H:46]