1,2-Dichloroethane → 4-(3-(Tert-butoxycarbonyl(methyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate
Reaction equation
[CH2:33]([Cl:34])[CH2:35][Cl:36].[CH3:37][c:38]1[c:39]([C:40](=[O:41])[OH:42])[cH:43][cH:44][c:45]([CH3:47])[cH:46]1.[CH3:54][N:55]([c:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1)[CH3:62].[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH2:10][N:11]([C:12]([O:13][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[CH3:19])[C:20](=[O:21])[NH:22][c:23]2[cH:24][c:25]3[cH:26][cH:27][n:28][cH:29][c:30]3[cH:31][cH:32]2)[cH:7][cH:8]1.[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1>>[O:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH2:10][N:11]([C:12]([O:13][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[CH3:19])[C:20](=[O:21])[NH:22][c:23]2[cH:24][c:25]3[cH:26][cH:27][n:28][cH:29][c:30]3[cH:31][cH:32]2)[cH:7][cH:8]1)[C:40]([c:39]1[c:38]([CH3:37])[cH:46][c:45]([CH3:47])[cH:44][cH:43]1)=[O:41]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-6fbad4b9312e48a3a29fcb39ec47e453
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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