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

HRID 2328614Notes

Reaction equation

HRID 2328614 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][CH:22]1[CH2:23][CH2:24]1)[C:13](=[O:20])[CH:14]([CH2:16][C:17](=[O:18])[OH:19])[CH2:15]2.[Cl:43][c:44]1[c:45]2[nH:46][n:47][cH:48][c:49]2[c:50]2[c:82]([cH:83]1)[CH2:81][CH:60]([CH2:61][C:62](=[O:63])[N:64]1[CH2:65][CH2:66][CH:67]([N:68]3[CH2:69][c:70]4[c:71]([cH:72][cH:73][cH:74][cH:75]4)[NH:76][C:77]3=[O:78])[CH2:79][CH2:80]1)[C:58](=[O:59])[N:52]([CH2:53][C:54]([CH3:55])([CH3:56])[CH3:57])[CH2:51]2.[ClH:25].[NH:26]1[CH2:27][CH2:28][CH:29]([c:32]2[c:33](=[O:42])[nH:34][c:35]3[cH:36][cH:37][cH:38][cH:39][c:40]3[cH:41]2)[CH2:30][CH2:31]1>>[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][CH:22]1[CH2:23][CH2:24]1)[C:13](=[O:20])[CH:14]([CH2:16][C:17](=[O:19])[N:26]1[CH2:27][CH2:28][CH:29]([c:32]3[c:33](=[O:42])[nH:34][c:35]4[cH:36][cH:37][cH:38][cH:39][c:40]4[cH:41]3)[CH2:30][CH2:31]1)[CH2:15]2

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 183210463-(Piperidin-4-yl)quinolin-2(1H)-oneHCID 673187002-[4-Bromo-9-(cyclopropylmethyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl]acetic acidHCID 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 688260904-bromo-9-(cyclopropylmethyl)-7-[2-oxo-2-[4-(2-oxo-1H-quinolin-3-yl)piperidin-1-yl]ethyl]-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-8-one

Sources & evidence

ORD record
ord-616db6efa8624307a4f625af09f75727
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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