Hydrochloric Acid → 4-bromo-9-(cyclopropylmethyl)-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
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:44][c:45]1[c:46]2[nH:47][n:48][cH:49][c:50]2[c:51]2[c:83]([cH:84]1)[CH2:82][CH:61]([CH2:62][C:63](=[O:64])[N:65]1[CH2:66][CH2:67][CH:68]([N:69]3[CH2:70][c:71]4[c:72]([cH:73][cH:74][cH:75][cH:76]4)[NH:77][C:78]3=[O:79])[CH2:80][CH2:81]1)[C:59](=[O:60])[N:53]([CH2:54][C:55]([CH3:56])([CH3:57])[CH3:58])[CH2:52]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][CH:22]1[CH2:23][CH2:24]1)[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]2Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-a844d7151ee84a3893c9e4d7353f3f8f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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