SMIRKS
[C:1]([C:2]([C:3]([H:55])([H:56])[H:57])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([H:58])([H:59])[H:60])([C:17]([H:61])([H:62])[H:63])[H:64])([H:65])[H:66])([N:18]([C:19](=[O:20])[C@:21]([C:22]([O:23][H:67])([H:68])[H:69])([N:24]([C:25](=[O:26])[C@:27]([C:28]([H:70])([H:71])[H:72])([N:29]([C:30](=[O:31])[C@:32]([C:33]([C:34]([C:35]([H:73])([H:74])[H:75])([C:36]([H:76])([H:77])[H:78])[H:79])([H:80])[H:81])([N:37]([C:38](=[O:39])[C@:40]([C:41]([C:42]([C:43]([H:82])([H:83])[H:84])([C:44]([H:85])([H:86])[H:87])[H:88])([H:89])[H:90])([N:45]([C:46](=[O:47])[C:48]([N:49]([H:91])[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])([C:50](=[O:51])[O:52][H:109])[H:110])([H:111])[H:112])[H:113])([H:114])([H:115])[H:116].[H][O:53][H:117].[H][O:54][H:119]>>[H][N:24]([C@:21]([C:19](=[O:20])[O:53][H:117])([C:22]([O:23][H:67])([H:68])[H:69])[H:102])[H:101].[C:25](=[O:26])([C@:27]([C:28]([H:70])([H:71])[H:72])([N:29]([C:30](=[O:31])[C@:32]([C:33]([C:34]([C:35]([H:73])([H:74])[H:75])([C:36]([H:76])([H:77])[H:78])[H:79])([H:80])[H:81])([N:37]([C:38](=[O:39])[C@:40]([C:41]([C:42]([C:43]([H:82])([H:83])[H:84])([C:44]([H:85])([H:86])[H:87])[H:88])([H:89])[H:90])([N:45]([C:46](=[O:47])[C:48]([N:49]([H:91])[H:92])([H:93])[H:94])[H:95])[H:96])[H:97])[H:98])[H:99])[H:100])[O:54][H:119].[H][N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:114])([H:115])[H:116])([C:3]([H:55])([H:56])[H:57])[H:113])([H:111])[H:112])([C:50](=[O:51])[O:52][H:109])[H:110])[H:108])=[O:8])([H:106])[H:107])[H:105])=[O:12])([C:14]([C:15]([C:16]([H:58])([H:59])[H:60])([C:17]([H:61])([H:62])[H:63])[H:64])([H:65])[H:66])[H:104])[H:103]
Derived Operators
EVODEX.1-E302 - Reaction Operator E
[#7:15](-[#6@:9])(-[#6:16](=[#8:17])-[#6@@:18]-[#7:19](-[#6:20](=[#8:21])-[#6@:22])-[H:117])-[H:124].[#8:60](-[H:135])-[H].[#8:61](-[H:137])-[H]>>[#6:16](=[#8:17])(-[#6@@:18]-[#7:19](-[H:117])-[H])-[#8:61]-[H:137].[#6:20](=[#8:21])(-[#6@:22])-[#8:60]-[H:135].[#7:15](-[#6@:9])(-[H:124])-[H]
EVODEX.1-C1129 - Reaction Operator C
([#7:18]-[#6:19].[#7:24]-[#6:25].[#6@:5]).[H]-[#8:53].[H]-[#8:54]>>([H]-[#7:24].[#6:19]-[#8:53]).[#6:25]-[#8:54].([H]-[#7:18].[#6@@:5])
EVODEX.1-N1396 - Reaction Operator N
([#6:4]-[#6@:5](-[#7:6])(-[#6:50])-[H:110].[#7:18](-[#6@:13])(-[#6:19](=[#8:20])-[#6@:21]-[#7:24](-[#6:25](=[#8:26])-[#6@:27])-[H:101])-[H:103]).[H]-[#8:53]-[H:117].[H]-[#8:54]-[H:119]>>[H]-[#7:24](-[#6@:21]-[#6:19](=[#8:20])-[#8:53]-[H:117])-[H:101].[#6:25](=[#8:26])(-[#6@:27])-[#8:54]-[H:119].([H]-[#7:18](-[#6@:13])-[H:103].[#7:6]-[#6@@:5](-[#6:4])(-[#6:50])-[H:110])
EVODEX.1-Em642 - Reaction Operator Em
[#6:21]-[#6:27](=[#8:28])-[#7:29]-[#6:30]-[#6:35](=[#8:36])-[#7:37]-[#6:38].[H]-[#8:68].[H]-[#8:69]>>[#6:21]-[#6:27](=[#8:28])-[#8:68].[H]-[#7:29]-[#6:30]-[#6:35](=[#8:36])-[#8:69].[H]-[#7:37]-[#6:38]
EVODEX.1-Cm155 - Reaction Operator Cm
([#7:6]-[#6:7].[#6:62]-[#7:64]).[H]-[#8:94].[H]-[#8:95]>>[#6:7]-[#8:94].([H]-[#7:6].[#6:62]-[#8:95]).[H]-[#7:64]
EVODEX.1-Nm577 - Reaction Operator Nm
[#6:21]-[#6:27](=[#8:28])-[#7:29]-[#6:30]-[#6:35](=[#8:36])-[#7:37]-[#6:38].[H]-[#8:68].[H]-[#8:69]>>[#6:21]-[#6:27](=[#8:28])-[#8:68].[H]-[#7:29]-[#6:30]-[#6:35](=[#8:36])-[#8:69].[H]-[#7:37]-[#6:38]
Source Full Reactions
EVODEX.1-R5929
[C:1]([C:2]([C:3]([H:55])([H:56])[H:57])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([H:58])([H:59])[H:60])([C:17]([H:61])([H:62])[H:63])[H:64])([H:65])[H:66])([N:18]([C:19](=[O:20])[C@:21]([C:22]([O:23][H:67])([H:68])[H:69])([N:24]([C:25](=[O:26])[C@:27]([C:28]([H:70])([H:71])[H:72])([N:29]([C:30](=[O:31])[C@:32]([C:33]([C:34]([C:35]([H:73])([H:74])[H:75])([C:36]([H:76])([H:77])[H:78])[H:79])([H:80])[H:81])([N:37]([C:38](=[O:39])[C@:40]([C:41]([C:42]([C:43]([H:82])([H:83])[H:84])([C:44]([H:85])([H:86])[H:87])[H:88])([H:89])[H:90])([N:45]([C:46](=[O:47])[C:48]([N:49]([H:91])[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])([C:50](=[O:51])[O:52][H:109])[H:110])([H:111])[H:112])[H:113])([H:114])([H:115])[H:116].[H][O:53][H:117].[H][O:54][H:119]>>[H][N:24]([C@:21]([C:19](=[O:20])[O:53][H:117])([C:22]([O:23][H:67])([H:68])[H:69])[H:102])[H:101].[C:25](=[O:26])([C@:27]([C:28]([H:70])([H:71])[H:72])([N:29]([C:30](=[O:31])[C@:32]([C:33]([C:34]([C:35]([H:73])([H:74])[H:75])([C:36]([H:76])([H:77])[H:78])[H:79])([H:80])[H:81])([N:37]([C:38](=[O:39])[C@:40]([C:41]([C:42]([C:43]([H:82])([H:83])[H:84])([C:44]([H:85])([H:86])[H:87])[H:88])([H:89])[H:90])([N:45]([C:46](=[O:47])[C:48]([N:49]([H:91])[H:92])([H:93])[H:94])[H:95])[H:96])[H:97])[H:98])[H:99])[H:100])[O:54][H:119].[H][N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:114])([H:115])[H:116])([C:3]([H:55])([H:56])[H:57])[H:113])([H:111])[H:112])([C:50](=[O:51])[O:52][H:109])[H:110])[H:108])=[O:8])([H:106])[H:107])[H:105])=[O:12])([C:14]([C:15]([C:16]([H:58])([H:59])[H:60])([C:17]([H:61])([H:62])[H:63])[H:64])([H:65])[H:66])[H:104])[H:103]