SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N([C:33]([C@@:24]([N:23]([C:21]([C@@:16]([N:15]([C:13]([C@:5]([C@:3]([C:2]([C:1]([H:116])([H:117])[H:118])([H:114])[H:115])([C:4]([H:59])([H:60])[H:61])[H:113])([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:62])[H:63])([C:11]([O:12][H:64])([H:65])[H:66])[H:67])[H:68])[H:112])=[O:14])[H:111])([C:17]([C:18]([N:19]([H:69])[H:70])=[O:20])([H:71])[H:72])[H:110])=[O:22])[H:109])([C:25]([C:26]2:[C:27]([H:73]):[C:28]([H:74]):[C:29]([O:30][H:75]):[C:31]([H:76]):[C:32]:2[H:77])([H:78])[H:79])[H:108])=[O:34])C([H])([H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:33]([C@@:24]([N:23]([C:21]([C@@:16]([N:15]([C:13]([C@:5]([C@:3]([C:2]([C:1]([H:116])([H:117])[H:118])([H:114])[H:115])([C:4]([H:59])([H:60])[H:61])[H:113])([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:62])[H:63])([C:11]([O:12][H:64])([H:65])[H:66])[H:67])[H:68])[H:112])=[O:14])[H:111])([C:17]([C:18]([N:19]([H:69])[H:70])=[O:20])([H:71])[H:72])[H:110])=[O:22])[H:109])([C:25]([C:26]1:[C:27]([H:73]):[C:28]([H:74]):[C:29]([O:30][H:75]):[C:31]([H:76]):[C:32]:1[H:77])([H:78])[H:79])[H:108])=[O:34]
Derived Operators
EVODEX.1-F535 - Elemental Balance
| O | -3 |
| C | -16 |
| N | -3 |
| H | -27 |
EVODEX.1-M507 - Mass Difference
-309.20541000000003
EVODEX.1-E1354 - Reaction Operator E
[#6](-[#6](-[#6@](-[#6](-[H])(-[H])-[H])(-[#6@](-[#7](-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[#6:14](=[#8:15])-[#6@:16])-[H])(-[#6](=[#8])-[#7](-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#6:14](=[#8:15])(-[#6@:16])-[#8]-[H]
EVODEX.1-C664 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6:14])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:14]
EVODEX.1-N821 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6:14](=[#8:15])-[#6@:16])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:14](=[#8:15])-[#6@:16]
EVODEX.1-Em53 - Reaction Operator Em
[#6]-[#7](-[#6:2](-[#6:1])=[#8:3])-[#6]>>[H]-[#8]-[#6:2](-[#6:1])=[#8:3]
EVODEX.1-Nm60 - Reaction Operator Nm
[#6]-[#7](-[#6:2](-[#6:1])=[#8:3])-[#6]>>[H]-[#8]-[#6:2](-[#6:1])=[#8:3]
Source Full Reactions
EVODEX.1-R6071
[C:1]([C:2]([C@:3]([C:4]([H:59])([H:60])[H:61])([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:62])[H:63])([C:11]([O:12][H:64])([H:65])[H:66])[H:67])[H:68])([C:13](=[O:14])[N:15]([C@@:16]([C:17]([C:18]([N:19]([H:69])[H:70])=[O:20])([H:71])[H:72])([C:21](=[O:22])[N:23]([C@@:24]([C:25]([C:26]1:[C:27]([H:73]):[C:28]([H:74]):[C:29]([O:30][H:75]):[C:31]([H:76]):[C:32]:1[H:77])([H:78])[H:79])([C:33](=[O:34])[N:35]1[C:36]([H:80])([H:81])[C:37]([H:82])([H:83])[C:38]([H:84])([H:85])[C@:39]1([C:40](=[O:41])[N:42]([C@:43]([C:44](=[O:45])[N:46]([C@:47]([C:48](=[O:49])[O:50][H:86])([C:51]([C:52]([H:87])([H:88])[H:89])([C:53]([H:90])([H:91])[H:92])[H:93])[H:94])[H:95])([C@@:54]([C:55]([H:96])([H:97])[H:98])([C:56]([C:57]([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][O:58][H:119]>>[C:1]([C:2]([C@:3]([C:4]([H:59])([H:60])[H:61])([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:62])[H:63])([C:11]([O:12][H:64])([H:65])[H:66])[H:67])[H:68])([C:13](=[O:14])[N:15]([C@@:16]([C:17]([C:18]([N:19]([H:69])[H:70])=[O:20])([H:71])[H:72])([C:21](=[O:22])[N:23]([C@@:24]([C:25]([C:26]1:[C:27]([H:73]):[C:28]([H:74]):[C:29]([O:30][H:75]):[C:31]([H:76]):[C:32]:1[H:77])([H:78])[H:79])([C:33](=[O:34])[O:58][H:119])[H:108])[H:109])[H:110])[H:111])[H:112])[H:113])([H:114])[H:115])([H:116])([H:117])[H:118].[H][N:35]1[C:36]([H:80])([H:81])[C:37]([H:82])([H:83])[C:38]([H:84])([H:85])[C@:39]1([C:40](=[O:41])[N:42]([C@:43]([C:44](=[O:45])[N:46]([C@:47]([C:48](=[O:49])[O:50][H:86])([C:51]([C:52]([H:87])([H:88])[H:89])([C:53]([H:90])([H:91])[H:92])[H:93])[H:94])[H:95])([C@@:54]([C:55]([H:96])([H:97])[H:98])([C:56]([C:57]([H:99])([H:100])[H:101])([H:102])[H:103])[H:104])[H:105])[H:106])[H:107]