Hydrochloric Acid → N-{3-[2-(3-chloro-benzylamino)-pyrimidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}-cyclohexane-1,4-diamine
Reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[n:16][cH:17][c:18]3[c:19]([n:20]2)[nH:21][n:22][c:23]3-[c:24]2[n:25][c:26]([NH:30][CH2:31][c:32]3[cH:33][c:34]([Cl:38])[cH:35][cH:36][cH:37]3)[n:27][cH:28][cH:29]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:39].[CH3:41][CH2:42][OH:43].[ClH:40]>>[NH2:7][CH:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[n:16][cH:17][c:18]3[c:19]([n:20]2)[nH:21][n:22][c:23]3-[c:24]2[n:25][c:26]([NH:30][CH2:31][c:32]3[cH:33][c:34]([Cl:38])[cH:35][cH:36][cH:37]3)[n:27][cH:28][cH:29]2)[CH2:12][CH2:13]1Participants
4
Sources & evidence
- ORD record
- ord-a72eacb15fc34899bcf5bf268b1f90af
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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