Dimethyl Sulfoxide → 1-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea

HRID 102400Notes

Reaction equation

HRID 102400 reaction equation
[CH3:34][S:35]([CH3:36])=[O:37].[F:22][C:23]([c:24]1[cH:25][cH:26][c:27]([CH2:28][NH2:29])[cH:30][cH:31]1)([F:32])[F:33].[c:1]1([O:2][C:8]([NH:9][c:10]2[c:11]3[cH:12][cH:13][n:14][c:15]([Cl:20])[c:16]3[cH:17][cH:18][cH:19]2)=[O:21])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[C:8]([NH:9][c:10]1[c:11]2[cH:12][cH:13][n:14][c:15]([Cl:20])[c:16]2[cH:17][cH:18][cH:19]1)(=[O:21])[NH:29][CH2:28][c:27]1[cH:26][cH:25][c:24]([C:23]([F:22])([F:32])[F:33])[cH:31][cH:30]1

Participants

4

Reactant 3

HCID 679Dimethyl SulfoxideHCID 768044-(Trifluoromethyl)benzylamineHCID 71382112Phenyl (1-chloroisoquinolin-5-yl)carbamate

Product 1

HCID 99997771-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea

Sources & evidence

ORD record
ord-f5523367d4984270a37eea975ac07bb8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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