Hydrochloric Acid → 4-Chloro-9-(2,2-dimethylpropyl)-7-[2-oxo-2-[4-(3-oxo-1,4-dihydroisoquinolin-2-yl)piperidin-1-yl]ethyl]-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-8-one
Reaction equation
[Cl:19][c:20]1[cH:21][c:22]2[c:23]([c:24]3[cH:25][n:26][nH:27][c:28]13)[CH2:29][N:30]([CH2:55][C:56]([CH3:57])([CH3:58])[CH3:59])[C:31](=[O:54])[CH:32]([CH2:34][C:35]([N:36]1[CH2:37][CH2:38][CH:39]([N:40]3[CH2:41][c:42]4[c:43]([cH:44][cH:45][cH:46][cH:47]4)[NH:48][C:49]3=[O:50])[CH2:51][CH2:52]1)=[O:53])[CH2:33]2.[ClH:1].[NH:2]1[CH2:3][CH2:4][CH:5]([N:8]2[CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[CH2:16][C:17]2=[O:18])[CH2:6][CH2:7]1>>[N:2]1([C:35]([CH2:34][CH:32]2[C:31](=[O:54])[N:30]([CH2:55][C:56]([CH3:57])([CH3:58])[CH3:59])[CH2:29][c:23]3[c:22]([cH:21][c:20]([Cl:19])[c:28]4[c:24]3[cH:25][n:26][nH:27]4)[CH2:33]2)=[O:53])[CH2:3][CH2:4][CH:5]([N:8]2[CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[CH2:16][C:17]2=[O:18])[CH2:6][CH2:7]1Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-2eb8419b9088425497702d6d0d3de6cd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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