2-Fluorophenyl isocyanate → 3-[[2-[(2-fluorophenyl)carbamoylamino]-3-methoxy-3-oxopropyl]sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid
Reaction equation
[F:40][c:41]1[c:42]([N:47]=[C:48]=[O:49])[cH:43][cH:44][cH:45][cH:46]1.[cH:1]1[c:2]2[c:12]([cH:13][cH:14][cH:15]1)-[c:7]1[c:6]([cH:11][cH:10][cH:9][cH:8]1)[CH:3]2[CH2:4][O:5][C:16](=[O:17])[NH:18][CH:19]([CH2:20][S:21][CH2:22][CH:23]([CH2:24][C:25](=[O:26])[OH:27])[C:28]([c:29]1[cH:30][n:31][cH:32][cH:33][cH:34]1)=[O:35])[C:36](=[O:37])[O:38][CH3:39]>>[C:16](=[O:17])([NH:18][CH:19]([CH2:20][S:21][CH2:22][CH:23]([CH2:24][C:25](=[O:26])[OH:27])[C:28]([c:29]1[cH:30][n:31][cH:32][cH:33][cH:34]1)=[O:35])[C:36](=[O:37])[O:38][CH3:39])[NH:47][c:42]1[c:41]([F:40])[cH:46][cH:45][cH:44][cH:43]1Participants
3
Sources & evidence
- ORD record
- ord-e5ca2cd2305945a69818e5361eddb44f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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