Hydrochloric Acid → 4-chloro-9-(2,2-dimethylpropyl)-7-[2-[4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidin-1-yl]-2-oxoethyl]-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-8-one

HRID 170378Notes

Reaction equation

HRID 170378 reaction equation
[Cl:20][c:21]1[cH:22][c:23]2[c:24]([c:25]3[cH:26][n:27][nH:28][c:29]13)[CH2:30][N:31]([CH2:56][C:57]([CH3:58])([CH3:59])[CH3:60])[C:32](=[O:55])[CH:33]([CH2:35][C:36]([N:37]1[CH2:38][CH2:39][CH:40]([N:41]3[CH2:42][c:43]4[c:44]([cH:45][cH:46][cH:47][cH:48]4)[NH:49][C:50]3=[O:51])[CH2:52][CH2:53]1)=[O:54])[CH2:34]2.[ClH:1].[F:2][c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][c:9]([CH:14]3[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]3)[c:10](=[O:13])[nH:11][c:12]12>>[F:2][c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][c:9]([CH:14]3[CH2:15][CH2:16][N:17]([C:36]([CH2:35][CH:33]4[C:32](=[O:55])[N:31]([CH2:56][C:57]([CH3:58])([CH3:59])[CH3:60])[CH2:30][c:24]5[c:23]([cH:22][c:21]([Cl:20])[c:29]6[c:25]5[cH:26][n:27][nH:28]6)[CH2:34]4)=[O:54])[CH2:18][CH2:19]3)[c:10](=[O:13])[nH:11][c:12]12

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 594243838-fluoro-3-piperidin-4-yl-1H-quinolin-2-oneHCID 688264784-Chloro-9-(2,2-dimethylpropyl)-7-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-8-one

Product 1

HCID 688276494-chloro-9-(2,2-dimethylpropyl)-7-[2-[4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidin-1-yl]-2-oxoethyl]-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-8-one

Sources & evidence

ORD record
ord-583ab39b4d6740b9abf13ed70c81fbd9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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