Dichloromethane → 1-(2-Chloroethyl)-3-(1-phenylbut-3-ynyl)urea
Reaction equation
[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[Cl:12][CH2:13][CH2:14][N:15]=[C:16]=[O:17].[Cl:25][CH2:26][Cl:27].[c:1]1([CH:7]([CH2:8][C:9]#[CH:10])[NH2:11])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH2:8][C:9]#[CH:10])[NH:11][C:16]([NH:15][CH2:14][CH2:13][Cl:12])=[O:17])[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
5
Sources & evidence
- ORD record
- ord-d0501c5354764209ba95b2e2cb00d70a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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