Butyl Isothiocyanate → 4-(5-Chloro-2-methoxybenzamidomethyl)-6-(n-butylaminothiocarbonylaminosulfonyl)-7-methoxychroman
Reaction equation
[CH2:30]([CH2:31][CH2:32][CH3:33])[N:34]=[C:35]=[S:36].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:28][CH3:29])[c:6]([C:7](=[O:8])[NH:9][CH2:10][CH:11]2[CH2:12][CH2:13][O:14][c:15]3[cH:16][c:17]([O:25][CH3:26])[c:18]([S:21]([NH2:22])(=[O:23])=[O:24])[cH:19][c:20]32)[cH:27]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:28][CH3:29])[c:6]([C:7](=[O:8])[NH:9][CH2:10][CH:11]2[CH2:12][CH2:13][O:14][c:15]3[cH:16][c:17]([O:25][CH3:26])[c:18]([S:21]([NH:22][C:35]([NH:34][CH2:30][CH2:31][CH2:32][CH3:33])=[S:36])(=[O:23])=[O:24])[cH:19][c:20]32)[cH:27]1Participants
3
Sources & evidence
- ORD record
- ord-730f874c624f4008b646f4043559a3a1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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