2-Bromobenzylamine → {4-[4-(2-Bromo-benzylcarbamoyl)-2-(7-isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-phenylsulfanyl]-phenyl}-carbamic acid tert-butyl ester
Reaction equation
[Br:39][c:40]1[c:41]([CH2:42][NH2:43])[cH:44][cH:45][cH:46][cH:47]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([S:15][c:16]2[c:17]([NH:25][c:26]3[c:27]4[c:28]([n:29][cH:30][n:31]3)[n:32][c:33]([CH:36]([CH3:37])[CH3:38])[cH:34][cH:35]4)[cH:18][c:19]([C:20](=[O:21])[OH:22])[cH:23][cH:24]2)[cH:13][cH:14]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([S:15][c:16]2[c:17]([NH:25][c:26]3[c:27]4[c:28]([n:29][cH:30][n:31]3)[n:32][c:33]([CH:36]([CH3:37])[CH3:38])[cH:34][cH:35]4)[cH:18][c:19]([C:20](=[O:21])[NH:43][CH2:42][c:41]3[c:40]([Br:39])[cH:47][cH:46][cH:45][cH:44]3)[cH:23][cH:24]2)[cH:13][cH:14]1Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-3998242073a440a1beec6a2315969f61
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)