Ethyl Acetate → HCID 86600659, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[s:7][c:8](-[c:18]2[cH:19][c:20]([N:24]([C:25]([C:26]([F:27])([F:28])[F:29])=[O:30])[CH:31]3[CH2:32][CH2:33][N:34]([S:37](=[O:38])(=[O:39])[CH2:40][c:41]4[cH:42][c:43]([N+:47]([O-:48])=[O:49])[cH:44][cH:45][cH:46]4)[CH2:35][CH2:36]3)[cH:21][cH:22][cH:23]2)[c:9]([Br:17])[c:10]1[O:11][CH2:12][C:13](=[O:14])[O:15][CH3:16].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[s:7][c:8](-[c:18]2[cH:19][c:20]([N:24]([C:25]([C:26]([F:27])([F:28])[F:29])=[O:30])[CH:31]3[CH2:32][CH2:33][N:34]([S:37](=[O:38])(=[O:39])[CH2:40][c:41]4[cH:42][c:43]([NH2:47])[cH:44][cH:45][cH:46]4)[CH2:35][CH2:36]3)[cH:21][cH:22][cH:23]2)[c:9]([Br:17])[c:10]1[O:11][CH2:12][C:13](=[O:14])[O:15][CH3:16]Participants
3
Sources & evidence
- ORD record
- ord-d25923264c0e4f1a879ade48bced0724
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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