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

HRID 1151441Notes

Reaction equation

HRID 1151441 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([c:6]3[cH:7][n:8][nH:9][c:10]13)[CH2:11][N:12]([CH2:21][CH2:22][O:23][CH3:24])[C:13](=[O:20])[CH:14]([CH2:16][C:17](=[O:18])[OH:19])[CH2:15]2.[ClH:25].[F:26][c:27]1[cH:28][cH:29][cH:30][c:31]2[cH:32][c:33]([CH:38]3[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]3)[c:34](=[O:37])[nH:35][c:36]12>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([c:6]3[cH:7][n:8][nH:9][c:10]13)[CH2:11][N:12]([CH2:21][CH2:22][O:23][CH3:24])[C:13](=[O:20])[CH:14]([CH2:16][C:17](=[O:19])[N:41]1[CH2:40][CH2:39][CH:38]([c:33]3[cH:32][c:31]4[cH:30][cH:29][cH:28][c:27]([F:26])[c:36]4[nH:35][c:34]3=[O:37])[CH2:43][CH2:42]1)[CH2:15]2

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 594243838-fluoro-3-piperidin-4-yl-1H-quinolin-2-oneHCID 688247532-[4-Bromo-9-(2-methoxyethyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl]acetic acid

Product 1

HCID 688270424-bromo-7-[2-[4-(8-fluoro-2-oxo-1H-quinolin-3-yl)piperidin-1-yl]-2-oxoethyl]-9-(2-methoxyethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-8-one

Sources & evidence

ORD record
ord-a3d2bdca128a494fa96ae061f3c4f61f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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