Water → 4-{4-[(4-Bromobutyl)oxy]butyl}-N-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}benzamide
Reaction equation
[Br:30][CH2:31][CH2:32][CH2:33][CH2:34][O:35][CH2:36][CH2:37][CH2:38][CH2:39][c:40]1[cH:41][cH:42][c:43]([C:44](=[O:45])[Cl:46])[cH:47][cH:48]1.[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[Cl:50][CH2:51][Cl:52].[NH2:1][CH2:2][c:3]1[c:4]([NH:16][CH:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[c:5]2[c:6]([n:7][c:8]1[CH2:9][CH3:10])[n:11]([CH2:14][CH3:15])[n:12][cH:13]2.[OH2:49]>>[NH:1]([CH2:2][c:3]1[c:4]([NH:16][CH:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[c:5]2[c:6]([n:7][c:8]1[CH2:9][CH3:10])[n:11]([CH2:14][CH3:15])[n:12][cH:13]2)[C:44]([c:43]1[cH:42][cH:41][c:40]([CH2:39][CH2:38][CH2:37][CH2:36][O:35][CH2:34][CH2:33][CH2:32][CH2:31][Br:30])[cH:48][cH:47]1)=[O:45]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-615af81368ca40cab1dd6bf4e3b728de
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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