SMIRKS
[H][C:4](=[C:2]([C:1]([H:106])([H:107])[H:108])[C:3]([H:59])([H:60])[H:61])[C:5]([C:6]([C@@:7]([C:8]([H:62])([H:63])[H:64])([C@@:9]1([H:65])[C:10]([H:66])([H:67])[C:11]([H:68])([H:69])[C@@:12]2([C:13]([H:70])([H:71])[H:72])[C:14]3=[C:15]([H:73])[C:16]([H:74])([H:75])[C@@:17]4([H:76])[C:18]([C:19]([H:77])([H:78])[H:79])([C:20]([H:80])([H:81])[H:82])[C@:21]([O:22][H:83])([H:84])[C:23]([H:85])([H:86])[C:24]([H:87])([H:88])[C@:25]4([C:26]([H:89])([H:90])[H:91])[C@@:27]3([H:92])[C:28]([H:93])([H:94])[C:29]([H:95])([H:96])[C@:30]12[C:31]([H:97])([H:98])[H:99])[H:100])([H:101])[H:102])([H:103])[H:104].[H][C:32]([S+:33]([C:34]([C:35]([C@:36]([N:37]([H:109])[H:110])([C:38](=[O:39])[O:40][H:111])[H:112])([H:113])[H:114])([H:115])[H:116])[C:41]([C@@:42]1([H:117])[O:43][C@:44]([N:45]2:[C:46]([H:118]):[N:47]:[C:48]3:[C:49]([N:50]([H:119])[H:120]):[N:51]:[C:52]([H:121]):[N:53]:[C:54]:2:3)([H:122])[C@@:55]([O:56][H:123])([H:124])[C@@:57]1([O:58][H:125])[H:126])([H:127])[H:128])([H:129])[H:130]>>[H][C:2]([C:1]([H:106])([H:107])[H:108])([C:3]([H:59])([H:60])[H:61])[C:4]([C:5]([C:6]([C@@:7]([C:8]([H:62])([H:63])[H:64])([C@@:9]1([H:65])[C:10]([H:66])([H:67])[C:11]([H:68])([H:69])[C@@:12]2([C:13]([H:70])([H:71])[H:72])[C:14]3=[C:15]([H:73])[C:16]([H:74])([H:75])[C@@:17]4([H:76])[C:18]([C:19]([H:77])([H:78])[H:79])([C:20]([H:80])([H:81])[H:82])[C@:21]([O:22][H:83])([H:84])[C:23]([H:85])([H:86])[C:24]([H:87])([H:88])[C@:25]4([C:26]([H:89])([H:90])[H:91])[C@@:27]3([H:92])[C:28]([H:93])([H:94])[C:29]([H:95])([H:96])[C@:30]12[C:31]([H:97])([H:98])[H:99])[H:100])([H:101])[H:102])([H:103])[H:104])=[C:32]([H:129])[H:130].[S:33]([C:34]([C:35]([C@:36]([N:37]([H:109])[H:110])([C:38](=[O:39])[O:40][H:111])[H:112])([H:113])[H:114])([H:115])[H:116])[C:41]([C@@:42]1([H:117])[O:43][C@:44]([N:45]2:[C:46]([H:118]):[N:47]:[C:48]3:[C:49]([N:50]([H:119])[H:120]):[N:51]:[C:52]([H:121]):[N:53]:[C:54]:2:3)([H:122])[C@@:55]([O:56][H:123])([H:124])[C@@:57]1([O:58][H:125])[H:126])([H:127])[H:128]
Derived Operators
EVODEX.1-M23 - Mass Difference
-1.00783
EVODEX.1-E39 - Reaction Operator E
[#6:1]-[#6:2](-[#6:3])=[#6:4](-[#6:5])-[H].[#6:32](-[#16:33](-[#6:34])-[#6:41])(-[H:127])(-[H:128])-[H]>>[#6:1]-[#6:2](-[#6:3])(-[#6:4](-[#6:5])=[#6:32](-[H:127])-[H:128])-[H].[#16:33](-[#6:34])-[#6:41]
EVODEX.1-C259 - Reaction Operator C
[H]-[#6:4]=[#6:2].[H]-[#6:29]-[#16:30]>>[H]-[#6:2]-[#6:4]=[#6:29].[#16:30]
EVODEX.1-N278 - Reaction Operator N
[H]-[#6:4](=[#6:2](-[#6:1])-[#6:3])-[#6:5].[H]-[#6:29](-[#16:30](-[#6:31])-[#6:38])(-[H:120])-[H:121]>>[H]-[#6:2](-[#6:1])(-[#6:3])-[#6:4](-[#6:5])=[#6:29](-[H:120])-[H:121].[#16:30](-[#6:31])-[#6:38]
EVODEX.1-Em403 - Reaction Operator Em
[H]-[#6:4](=[#6:2](-[#6:1])-[#6:3])-[#6:5].[H]-[#6:29]-[#16:30](-[#6:31])-[#6:38]>>[H]-[#6:2](-[#6:1])(-[#6:3])-[#6:4](-[#6:5])=[#6:29].[#16:30](-[#6:31])-[#6:38]
EVODEX.1-Cm231 - Reaction Operator Cm
[H]-[#6:4]=[#6:2].[H]-[#6:29]-[#16:30]>>[H]-[#6:2]-[#6:4]=[#6:29].[#16:30]
EVODEX.1-Nm363 - Reaction Operator Nm
[H]-[#6:4](=[#6:2](-[#6:1])-[#6:3])-[#6:5].[H]-[#6:29]-[#16:30](-[#6:31])-[#6:38]>>[H]-[#6:2](-[#6:1])(-[#6:3])-[#6:4](-[#6:5])=[#6:29].[#16:30](-[#6:31])-[#6:38]
Source Full Reactions
EVODEX.1-R1322
[H][C:4](=[C:2]([C:1]([H:106])([H:107])[H:108])[C:3]([H:59])([H:60])[H:61])[C:5]([C:6]([C@@:7]([C:8]([H:62])([H:63])[H:64])([C@@:9]1([H:65])[C:10]([H:66])([H:67])[C:11]([H:68])([H:69])[C@@:12]2([C:13]([H:70])([H:71])[H:72])[C:14]3=[C:15]([H:73])[C:16]([H:74])([H:75])[C@@:17]4([H:76])[C:18]([C:19]([H:77])([H:78])[H:79])([C:20]([H:80])([H:81])[H:82])[C@:21]([O:22][H:83])([H:84])[C:23]([H:85])([H:86])[C:24]([H:87])([H:88])[C@:25]4([C:26]([H:89])([H:90])[H:91])[C@@:27]3([H:92])[C:28]([H:93])([H:94])[C:29]([H:95])([H:96])[C@:30]12[C:31]([H:97])([H:98])[H:99])[H:100])([H:101])[H:102])([H:103])[H:104].[H][C:32]([S+:33]([C:34]([C:35]([C@:36]([N:37]([H:109])[H:110])([C:38](=[O:39])[O:40][H:111])[H:112])([H:113])[H:114])([H:115])[H:116])[C:41]([C@@:42]1([H:117])[O:43][C@:44]([N:45]2:[C:46]([H:118]):[N:47]:[C:48]3:[C:49]([N:50]([H:119])[H:120]):[N:51]:[C:52]([H:121]):[N:53]:[C:54]:2:3)([H:122])[C@@:55]([O:56][H:123])([H:124])[C@@:57]1([O:58][H:125])[H:126])([H:127])[H:128])([H:129])[H:130]>>[H][C:2]([C:1]([H:106])([H:107])[H:108])([C:3]([H:59])([H:60])[H:61])[C:4]([C:5]([C:6]([C@@:7]([C:8]([H:62])([H:63])[H:64])([C@@:9]1([H:65])[C:10]([H:66])([H:67])[C:11]([H:68])([H:69])[C@@:12]2([C:13]([H:70])([H:71])[H:72])[C:14]3=[C:15]([H:73])[C:16]([H:74])([H:75])[C@@:17]4([H:76])[C:18]([C:19]([H:77])([H:78])[H:79])([C:20]([H:80])([H:81])[H:82])[C@:21]([O:22][H:83])([H:84])[C:23]([H:85])([H:86])[C:24]([H:87])([H:88])[C@:25]4([C:26]([H:89])([H:90])[H:91])[C@@:27]3([H:92])[C:28]([H:93])([H:94])[C:29]([H:95])([H:96])[C@:30]12[C:31]([H:97])([H:98])[H:99])[H:100])([H:101])[H:102])([H:103])[H:104])=[C:32]([H:129])[H:130].[HH].[S:33]([C:34]([C:35]([C@:36]([N:37]([H:109])[H:110])([C:38](=[O:39])[O:40][H:111])[H:112])([H:113])[H:114])([H:115])[H:116])[C:41]([C@@:42]1([H:117])[O:43][C@:44]([N:45]2:[C:46]([H:118]):[N:47]:[C:48]3:[C:49]([N:50]([H:119])[H:120]):[N:51]:[C:52]([H:121]):[N:53]:[C:54]:2:3)([H:122])[C@@:55]([O:56][H:123])([H:124])[C@@:57]1([O:58][H:125])[H:126])([H:127])[H:128]