Hydrochloric Acid → 4-Chloro-7-[2-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-oxoethyl]-9-(pyridin-4-ylmethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-8-one

HRID 152476Notes

Reaction equation

HRID 152476 reaction equation
[Cl:3][c:4]1[cH:5][c:6]2[c:7]([c:8]3[cH:9][n:10][nH:11][c:12]13)[CH2:13][N:14]([CH2:23][c:24]1[cH:25][cH:26][n:27][cH:28][cH:29]1)[C:15](=[O:22])[CH:16]([CH2:18][C:19](=[O:20])[OH:21])[CH2:17]2.[Cl:49][c:50]1[c:51]2[nH:52][n:53][cH:54][c:55]2[c:56]2[c:88]([cH:89]1)[CH2:87][CH:66]([CH2:67][C:68](=[O:69])[N:70]1[CH2:71][CH2:72][CH:73]([N:74]3[CH2:75][c:76]4[c:77]([cH:78][cH:79][cH:80][cH:81]4)[NH:82][C:83]3=[O:84])[CH2:85][CH2:86]1)[C:64](=[O:65])[N:58]([CH2:59][C:60]([CH3:61])([CH3:62])[CH3:63])[CH2:57]2.[ClH:1].[ClH:2].[ClH:30].[F:31][c:32]1[cH:33][cH:34][cH:35][c:36]2[c:41]1[NH:40][C:39](=[O:42])[N:38]([CH:43]1[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]1)[CH2:37]2>>[Cl:3][c:4]1[cH:5][c:6]2[c:7]([c:8]3[cH:9][n:10][nH:11][c:12]13)[CH2:13][N:14]([CH2:23][c:24]1[cH:25][cH:26][n:27][cH:28][cH:29]1)[C:15](=[O:22])[CH:16]([CH2:18][C:19](=[O:20])[N:46]1[CH2:45][CH2:44][CH:43]([N:38]3[CH2:37][c:36]4[cH:35][cH:34][cH:33][c:32]([F:31])[c:41]4[NH:40][C:39]3=[O:42])[CH2:48][CH2:47]1)[CH2:17]2

Participants

5

Reactant 4

HCID 313Hydrochloric Acid3×HCID 211022172(1h)-Quinazolinone,8-fluoro-3,4-dihydro-3-(4-piperidinyl)-HCID 672023842-[4-Chloro-8-oxo-9-(pyridin-4-ylmethyl)-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 688262474-Chloro-7-[2-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-oxoethyl]-9-(pyridin-4-ylmethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-8-one

Sources & evidence

ORD record
ord-ea85a3cc3f6e443c8363894781b96646
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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