Ethyl Acetate → HCID 178491430, compound
Reaction equation
[C:1](#[N:2])[CH2:3][CH2:4][O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][O:14][CH:15]1[C:16]([n:50]2[cH:51][n:52][c:53]3[c:54]([NH2:55])[n:56][cH:57][n:58][c:59]23)([SiH:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[O:17][CH:18]([CH2:25][O:26][C:27]([c:28]2[cH:29][cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]2)([c:36]2[cH:37][cH:38][c:39]([O:42][CH3:43])[cH:40][cH:41]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[C:19]1([OH:20])[C:21]([CH3:22])([CH3:23])[CH3:24].[C:73]([c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)(=[O:80])[c:81]1[nH:82][n:83][n:84][n:85]1.[CH3:86][CH2:87][O:88][C:89]([CH3:90])=[O:91]>>[C:1](#[N:2])[CH2:3][CH2:4][O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][O:14][CH:15]1[C:16]([n:50]2[cH:51][n:52][c:53]3[c:54]([NH:55][C:73]([c:74]4[cH:75][cH:76][cH:77][cH:78][cH:79]4)=[O:80])[n:56][cH:57][n:58][c:59]23)([SiH:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[O:17][CH:18]([CH2:25][O:26][C:27]([c:28]2[cH:29][cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]2)([c:36]2[cH:37][cH:38][c:39]([O:42][CH3:43])[cH:40][cH:41]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[C:19]1([OH:20])[C:21]([CH3:22])([CH3:23])[CH3:24]Participants
4
Sources & evidence
- ORD record
- ord-a1b08e9aaf5f497989da78373fd812b0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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