EVODEX.1-P3937 - Partial Reaction

SMIRKS

[H]C(=C([H])C([H])([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(=O)[O:20][C@@:21]1([H:49])[C:22]([H:50])([H:51])[C:23]([H:52])([H:53])[C@@:24]2([C:25]([H:54])([H:55])[H:56])[C:26](=[C:27]([H:57])[C:28]([H:58])([H:59])[C@@:29]3([H:60])[C@:30]4([H:61])[C:31]([H:62])([H:63])[C:32]([H:64])([H:65])[C@@:33]([C@:34]([C:35]([H:66])([H:67])[H:68])([C:36]([C:37]([C:38]([C:39]([C:40]([H:69])([H:70])[H:71])([C:41]([H:72])([H:73])[H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])([H:83])[C@@:42]4([C:43]([H:84])([H:85])[H:86])[C:44]([H:87])([H:88])[C:45]([H:89])([H:90])[C@:46]23[H:91])[C:47]1([H:92])[H:93])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])[H]>>[H][O:20][C@@:21]1([H:49])[C:22]([H:50])([H:51])[C:23]([H:52])([H:53])[C@@:24]2([C:25]([H:54])([H:55])[H:56])[C:26](=[C:27]([H:57])[C:28]([H:58])([H:59])[C@@:29]3([H:60])[C@:30]4([H:61])[C:31]([H:62])([H:63])[C:32]([H:64])([H:65])[C@@:33]([C@:34]([C:35]([H:66])([H:67])[H:68])([C:36]([C:37]([C:38]([C:39]([C:40]([H:69])([H:70])[H:71])([C:41]([H:72])([H:73])[H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])([H:83])[C@@:42]4([C:43]([H:84])([H:85])[H:86])[C:44]([H:87])([H:88])[C:45]([H:89])([H:90])[C@:46]23[H:91])[C:47]1([H:92])[H:93]

Derived Operators

EVODEX.1-F127 - Elemental Balance

O	-1
C	-18
H	-28

EVODEX.1-M243 - Mass Difference

-260.21414

EVODEX.1-E768 - Reaction Operator E

[#6:23]-[#8:24]-[#6](=[#8])-[#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]>>[#6:23]-[#8:24]-[H]

EVODEX.1-C314 - Reaction Operator C

[H]-[#6](=[#6](-[H])-[#6](-[H])(-[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](=[#8])-[#8:24])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8:24]

EVODEX.1-N364 - Reaction Operator N

[H]-[#6](=[#6](-[H])-[#6](-[H])(-[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](=[#8])-[#8:24]-[#6:23])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8:24]-[#6:23]

EVODEX.1-Em10 - Reaction Operator Em

[#6]-[#6](=[#8])-[#8:20]-[#6:21]>>[H]-[#8:20]-[#6:21]

EVODEX.1-Cm8 - Reaction Operator Cm

[#6]-[#8:2]>>[H]-[#8:2]

EVODEX.1-Nm9 - Reaction Operator Nm

[#6]-[#6](=[#8])-[#8:20]-[#6:21]>>[H]-[#8:20]-[#6:21]

Source Full Reactions

EVODEX.1-R4789

[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](=[O:19])[O:20][C@@:21]1([H:49])[C:22]([H:50])([H:51])[C:23]([H:52])([H:53])[C@@:24]2([C:25]([H:54])([H:55])[H:56])[C:26](=[C:27]([H:57])[C:28]([H:58])([H:59])[C@@:29]3([H:60])[C@:30]4([H:61])[C:31]([H:62])([H:63])[C:32]([H:64])([H:65])[C@@:33]([C@:34]([C:35]([H:66])([H:67])[H:68])([C:36]([C:37]([C:38]([C:39]([C:40]([H:69])([H:70])[H:71])([C:41]([H:72])([H:73])[H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])([H:83])[C@@:42]4([C:43]([H:84])([H:85])[H:86])[C:44]([H:87])([H:88])[C:45]([H:89])([H:90])[C@:46]23[H:91])[C:47]1([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])[H:108])[H:109])([H:110])[H:111])[H:112])[H:113])([H:114])[H:115])[H:116])[H:117])([H:118])[H:119])([H:120])([H:121])[H:122].[H][O:48][H:123]>>[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](=[O:19])[O:48][H:123])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])[H:108])[H:109])([H:110])[H:111])[H:112])[H:113])([H:114])[H:115])[H:116])[H:117])([H:118])[H:119])([H:120])([H:121])[H:122].[H][O:20][C@@:21]1([H:49])[C:22]([H:50])([H:51])[C:23]([H:52])([H:53])[C@@:24]2([C:25]([H:54])([H:55])[H:56])[C:26](=[C:27]([H:57])[C:28]([H:58])([H:59])[C@@:29]3([H:60])[C@:30]4([H:61])[C:31]([H:62])([H:63])[C:32]([H:64])([H:65])[C@@:33]([C@:34]([C:35]([H:66])([H:67])[H:68])([C:36]([C:37]([C:38]([C:39]([C:40]([H:69])([H:70])[H:71])([C:41]([H:72])([H:73])[H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])([H:83])[C@@:42]4([C:43]([H:84])([H:85])[H:86])[C:44]([H:87])([H:88])[C:45]([H:89])([H:90])[C@:46]23[H:91])[C:47]1([H:92])[H:93]