Dichloromethane → 7-(3-bromopropylamino)-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

HRID 2313705Notes

Reaction equation

HRID 2313705 reaction equation
[C:20]([Br:21])([Br:22])([Br:23])[Br:24].[CH2:51]([Cl:52])[Cl:53].[OH:25][CH2:26][CH2:27][CH2:28][NH:29][c:30]1[cH:31][cH:32][c:33]2[cH:34][c:35](-[c:41]3[c:42]([C:47]([F:48])([F:49])[F:50])[cH:43][cH:44][cH:45][cH:46]3)[nH:36][c:37](=[O:40])[c:38]2[cH:39]1.[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH2:20]([Br:24])[CH2:27][CH2:28][NH:29][c:30]1[cH:31][cH:32][c:33]2[cH:34][c:35](-[c:41]3[c:42]([C:47]([F:48])([F:49])[F:50])[cH:43][cH:44][cH:45][cH:46]3)[nH:36][c:37](=[O:40])[c:38]2[cH:39]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 11205Carbon tetrabromideHCID 11776TriphenylphosphineHCID 231567767-(3-hydroxypropylamino)-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

Product 1

HCID 575581777-(3-bromopropylamino)-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-af00418a5d0b484989b9f388b9985428
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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