Ethyl Acetate → HCID 54724880, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][C:10](=[O:11])[NH:12][c:13]1[cH:14][c:15]([S:19](=[O:20])(=[O:21])[NH:22][c:23]2[cH:24][c:25]([CH:29]([c:30]3[c:31]([OH:43])[c:32]4[c:33]([o:34][c:35]3=[O:36])[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]4)[CH:44]3[CH2:45][CH2:46]3)[cH:26][cH:27][cH:28]2)[cH:16][cH:17][cH:18]1.[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52]>>[OH:8][CH2:9][C:10](=[O:11])[NH:12][c:13]1[cH:14][c:15]([S:19](=[O:20])(=[O:21])[NH:22][c:23]2[cH:24][c:25]([CH:29]([c:30]3[c:31]([OH:43])[c:32]4[c:33]([o:34][c:35]3=[O:36])[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]4)[CH:44]3[CH2:45][CH2:46]3)[cH:26][cH:27][cH:28]2)[cH:16][cH:17][cH:18]1Participants
3
Sources & evidence
- ORD record
- ord-e41f0a067ae94333af2f691d7f1a99e6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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