SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])[C:19](=[O:20])[C@:21]([C:22]([O:23][H:68])([H:69])[H:70])([N:24]([C:25](=[O:26])[C@@:27]([N:28]([C:29](=[O:30])[C@:31]([C:32]([C:33]([C:34]([H:71])([H:72])[H:73])([C:35]([H:74])([H:75])[H:76])[H:77])([H:78])[H:79])([N:36]([C:37](=[O:38])[C@:39]([C:40]([C:41]([C:42]([H:80])([H:81])[H:82])([C:43]([H:83])([H:84])[H:85])[H:86])([H:87])[H:88])([N:44]([C:45](=[O:46])[C:47]([N:48]([H:89])[H:90])([H:91])[H:92])[H:93])[H:94])[H:95])[H:96])[H:97])([C:49]([C:50]([H:98])([H:99])[H:100])([C:51]([H:101])([H:102])[H:103])[H:104])[H:105])[H:106])[H:107])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H].[H][O:55][H:122]>>[C:19](=[O:20])([C@:21]([C:22]([O:23][H:68])([H:69])[H:70])([N:24]([C:25](=[O:26])[C@@:27]([N:28]([C:29](=[O:30])[C@:31]([C:32]([C:33]([C:34]([H:71])([H:72])[H:73])([C:35]([H:74])([H:75])[H:76])[H:77])([H:78])[H:79])([N:36]([C:37](=[O:38])[C@:39]([C:40]([C:41]([C:42]([H:80])([H:81])[H:82])([C:43]([H:83])([H:84])[H:85])[H:86])([H:87])[H:88])([N:44]([C:45](=[O:46])[C:47]([N:48]([H:89])[H:90])([H:91])[H:92])[H:93])[H:94])[H:95])[H:96])[H:97])([C:49]([C:50]([H:98])([H:99])[H:100])([C:51]([H:101])([H:102])[H:103])[H:104])[H:105])[H:106])[H:107])[O:55][H:122]
Derived Operators
EVODEX.1-F523 - Elemental Balance
| O | -4 |
| C | -14 |
| N | -3 |
| H | -27 |
EVODEX.1-M169 - Mass Difference
-301.20031
EVODEX.1-E1341 - Reaction Operator E
[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6@](-[#7](-[#6](=[#8])-[#6](-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#7](-[#6:19](=[#8:20])-[#6@:21])-[H])-[H])-[H])(-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])-[H])(-[H])(-[H])-[H].[#8:62](-[H:130])-[H]>>[#6:19](=[#8:20])(-[#6@:21])-[#8:62]-[H:130]
EVODEX.1-C647 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:19])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:63]>>[#6:19]-[#8:63]
EVODEX.1-N802 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:19](=[#8:20])-[#6@:21])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:63]-[H:135]>>[#6:19](=[#8:20])(-[#6@:21])-[#8:63]-[H:135]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R5922
[C:1]([C:2]([C:3]([H:56])([H:57])[H:58])([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:59])([H:60])[H:61])([C:17]([H:62])([H:63])[H:64])[H:65])([H:66])[H:67])([N:18]([C:19](=[O:20])[C@:21]([C:22]([O:23][H:68])([H:69])[H:70])([N:24]([C:25](=[O:26])[C@@:27]([N:28]([C:29](=[O:30])[C@:31]([C:32]([C:33]([C:34]([H:71])([H:72])[H:73])([C:35]([H:74])([H:75])[H:76])[H:77])([H:78])[H:79])([N:36]([C:37](=[O:38])[C@:39]([C:40]([C:41]([C:42]([H:80])([H:81])[H:82])([C:43]([H:83])([H:84])[H:85])[H:86])([H:87])[H:88])([N:44]([C:45](=[O:46])[C:47]([N:48]([H:89])[H:90])([H:91])[H:92])[H:93])[H:94])[H:95])[H:96])[H:97])([C:49]([C:50]([H:98])([H:99])[H:100])([C:51]([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])([C:52](=[O:53])[O:54][H:114])[H:115])([H:116])[H:117])[H:118])([H:119])([H:120])[H:121].[H][O:55][H:122]>>[C:19](=[O:20])([C@:21]([C:22]([O:23][H:68])([H:69])[H:70])([N:24]([C:25](=[O:26])[C@@:27]([N:28]([C:29](=[O:30])[C@:31]([C:32]([C:33]([C:34]([H:71])([H:72])[H:73])([C:35]([H:74])([H:75])[H:76])[H:77])([H:78])[H:79])([N:36]([C:37](=[O:38])[C@:39]([C:40]([C:41]([C:42]([H:80])([H:81])[H:82])([C:43]([H:83])([H:84])[H:85])[H:86])([H:87])[H:88])([N:44]([C:45](=[O:46])[C:47]([N:48]([H:89])[H:90])([H:91])[H:92])[H:93])[H:94])[H:95])[H:96])[H:97])([C:49]([C:50]([H:98])([H:99])[H:100])([C:51]([H:101])([H:102])[H:103])[H:104])[H:105])[H:106])[H:107])[O:55][H:122].[H][N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:119])([H:120])[H:121])([C:3]([H:56])([H:57])[H:58])[H:118])([H:116])[H:117])([C:52](=[O:53])[O:54][H:114])[H:115])[H:113])=[O:8])([H:111])[H:112])[H:110])=[O:12])([C:14]([C:15]([C:16]([H:59])([H:60])[H:61])([C:17]([H:62])([H:63])[H:64])[H:65])([H:66])[H:67])[H:109])[H:108]