Ethyl Acetate → HCID 76181895, compound
Reaction equation
[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[O-:1][O+:2]=[O:3].[c:4]1([CH:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[O:17][C:18]([CH:19]([C:20]([CH3:21])=[CH2:22])[N:23]2[C:24](=[O:49])[CH:25]([NH:38][C:39]([CH2:40][O:41][c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)=[O:48])[CH:26]2[S:27][S:28][c:29]2[s:30][c:31]3[c:32]([n:33]2)[cH:34][cH:35][cH:36][cH:37]3)=[O:50])[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[OH:1][C:20](=[C:19]([C:18]([O:17][CH:10]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)=[O:50])[N:23]1[C:24](=[O:49])[CH:25]([NH:38][C:39]([CH2:40][O:41][c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)=[O:48])[CH:26]1[S:27][S:28][c:29]1[s:30][c:31]2[c:32]([n:33]1)[cH:34][cH:35][cH:36][cH:37]2)[CH3:21]Participants
4
Sources & evidence
- ORD record
- ord-def8fe787d92426091ef02068cf1628e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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