Chloride → N-[2-[(2-chloro-9-cyclopentyl-9H-purin-6-yl)-amino]-ethyl]-4-(trifluoromethyl)-benzenesulphonamide
Reaction equation
[CH2:20]([Cl:21])[Cl:22].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[Cl-:30].[F:31][C:32]([c:33]1[cH:34][cH:35][c:36]([S:39](=[O:40])(=[O:41])[OH:42])[cH:37][cH:38]1)([F:43])[F:44].[NH2:1][CH2:2][CH2:3][NH:4][c:5]1[c:6]2[n:7][cH:8][n:9]([CH:15]3[CH2:16][CH2:17][CH2:18][CH2:19]3)[c:10]2[n:11][c:12]([Cl:14])[n:13]1.[OH2:45]>>[NH:1]([CH2:2][CH2:3][NH:4][c:5]1[c:6]2[n:7][cH:8][n:9]([CH:15]3[CH2:16][CH2:17][CH2:18][CH2:19]3)[c:10]2[n:11][c:12]([Cl:14])[n:13]1)[S:39]([c:36]1[cH:35][cH:34][c:33]([C:32]([F:31])([F:43])[F:44])[cH:38][cH:37]1)(=[O:40])=[O:41]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-e2c3abb1c68140efbda089ade3dc32d2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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