EVODEX.1-P6406

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:42])([H:43])[H:44])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:45])([H:46])[H:47])=[C:9]([C:10](=[C:11]([C:12]([C:13]([H:48])([H:49])[H:50])=[C:14]([C:15](=[C:16]([C:17]([C:18]([H:51])([H:52])[H:53])=[C:19]([C:20](=[C:21]([C:22](=[C:23]([C:24]([H:54])([H:55])[H:56])[C:25](=[C:26]([C:27](=[C:28]([C:29]([H:57])([H:58])[H:59])[C:30](=[C:31]([C:32](=[C:33]([C:34]([H:60])([H:61])[H:62])[C:35]([C:36]([C:37](=[C:38]([C:39]([H:63])([H:64])[H:65])[C:40]([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:97].[H][O:41][H:98]>>[H][C:4]([C:2]([C:1]([H:95])([H:96])[H:97])([C:3]([H:42])([H:43])[H:44])[O:41][H:98])([C:5]([C:6]([C:7]([C:8]([H:45])([H:46])[H:47])=[C:9]([C:10](=[C:11]([C:12]([C:13]([H:48])([H:49])[H:50])=[C:14]([C:15](=[C:16]([C:17]([C:18]([H:51])([H:52])[H:53])=[C:19]([C:20](=[C:21]([C:22](=[C:23]([C:24]([H:54])([H:55])[H:56])[C:25](=[C:26]([C:27](=[C:28]([C:29]([H:57])([H:58])[H:59])[C:30](=[C:31]([C:32](=[C:33]([C:34]([H:60])([H:61])[H:62])[C:35]([C:36]([C:37](=[C:38]([C:39]([H:63])([H:64])[H:65])[C:40]([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]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E191 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](-[#6:3])=[#6:4](-[#6:5])-[H:42].[#8:25](-[H:46])-[H]>>[#6:1]-[#6:2](-[#6:3])(-[#6:4](-[#6:5])(-[H:42])-[H])-[#8:25]-[H:46]

EVODEX.1-C70 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]=[#6:4].[H]-[#8:26]>>[H]-[#6:4]-[#6:2]-[#8:26]

EVODEX.1-N950 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](-[#6:3])=[#6:4](-[#6:5])-[H:43].[H]-[#8:26]-[H:47]>>[H]-[#6:4](-[#6:2](-[#6:1])(-[#6:3])-[#8:26]-[H:47])(-[#6:5])-[H:43]

EVODEX.1-Em763 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](-[#6:3])=[#6:4]-[#6:5].[H]-[#8:26]>>[H]-[#6:4](-[#6:2](-[#6:1])(-[#6:3])-[#8:26])-[#6:5]

EVODEX.1-Cm110 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]=[#6:4].[H]-[#8:26]>>[H]-[#6:4]-[#6:2]-[#8:26]

EVODEX.1-Nm687 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](-[#6:3])=[#6:4]-[#6:5].[H]-[#8:26]>>[H]-[#6:4](-[#6:2](-[#6:1])(-[#6:3])-[#8:26])-[#6:5]

Source Full Reactions

EVODEX.1-R6995

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:42])([H:43])[H:44])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:45])([H:46])[H:47])=[C:9]([C:10](=[C:11]([C:12]([C:13]([H:48])([H:49])[H:50])=[C:14]([C:15](=[C:16]([C:17]([C:18]([H:51])([H:52])[H:53])=[C:19]([C:20](=[C:21]([C:22](=[C:23]([C:24]([H:54])([H:55])[H:56])[C:25](=[C:26]([C:27](=[C:28]([C:29]([H:57])([H:58])[H:59])[C:30](=[C:31]([C:32](=[C:33]([C:34]([H:60])([H:61])[H:62])[C:35]([C:36]([C:37](=[C:38]([C:39]([H:63])([H:64])[H:65])[C:40]([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:97].[H][O:41][H:98]>>[H][C:4]([C:2]([C:1]([H:95])([H:96])[H:97])([C:3]([H:42])([H:43])[H:44])[O:41][H:98])([C:5]([C:6]([C:7]([C:8]([H:45])([H:46])[H:47])=[C:9]([C:10](=[C:11]([C:12]([C:13]([H:48])([H:49])[H:50])=[C:14]([C:15](=[C:16]([C:17]([C:18]([H:51])([H:52])[H:53])=[C:19]([C:20](=[C:21]([C:22](=[C:23]([C:24]([H:54])([H:55])[H:56])[C:25](=[C:26]([C:27](=[C:28]([C:29]([H:57])([H:58])[H:59])[C:30](=[C:31]([C:32](=[C:33]([C:34]([H:60])([H:61])[H:62])[C:35]([C:36]([C:37](=[C:38]([C:39]([H:63])([H:64])[H:65])[C:40]([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]