Ethyl Acetate → HCID 178471333, compound
Reaction equation
[CH2:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[O:21][C:22](=[O:23])[N:24]1[CH2:25][CH2:26][CH:27]([CH2:30][CH2:31][CH2:32][CH2:33][CH:34]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[O:40][S:41]([CH3:42])(=[O:43])=[O:44])[CH2:28][CH2:29]1.[CH2:45]([O:46][C:47](=[O:48])[CH3:49])[CH3:50].[NH2:1][CH:2]1[CH2:3][S:4][c:5]2[c:6]([cH:10][cH:11][cH:12][cH:13]2)[NH:7][C:8]1=[O:9]>>[NH:1]([CH:2]1[CH2:3][S:4][c:5]2[c:6]([cH:10][cH:11][cH:12][cH:13]2)[NH:7][C:8]1=[O:9])[CH:34]([CH2:33][CH2:32][CH2:31][CH2:30][CH:27]1[CH2:26][CH2:25][N:24]([C:22]([O:21][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)=[O:23])[CH2:29][CH2:28]1)[C:35](=[O:36])[O:37][CH2:38][CH3:39]Participants
4
Sources & evidence
- ORD record
- ord-5834bb5802d44400bfc4a00f738bf144
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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