Hydrochloric Acid → 4-chloro-7-[2-oxo-2-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]-9-(pyridin-4-ylmethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-8-one

HRID 2138795Notes

Reaction equation

HRID 2138795 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:48][c:49]1[c:50]2[nH:51][n:52][cH:53][c:54]2[c:55]2[c:87]([cH:88]1)[CH2:86][CH:65]([CH2:66][C:67](=[O:68])[N:69]1[CH2:70][CH2:71][CH:72]([N:73]3[CH2:74][c:75]4[c:76]([cH:77][cH:78][cH:79][cH:80]4)[NH:81][C:82]3=[O:83])[CH2:84][CH2:85]1)[C:63](=[O:64])[N:57]([CH2:58][C:59]([CH3:60])([CH3:61])[CH3:62])[CH2:56]2.[ClH:1].[ClH:2].[c:30]1(-[c:36]2[nH:37][c:38](=[O:47])[n:39]([CH:41]3[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]3)[cH:40]2)[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[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:44]1[CH2:43][CH2:42][CH:41]([n:39]3[c:38](=[O:47])[nH:37][c:36](-[c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[cH:40]3)[CH2:46][CH2:45]1)[CH2:17]2

Participants

5

Reactant 4

HCID 313Hydrochloric Acid2×HCID 113455464-Phenyl-1-(piperidin-4-yl)-1,3-dihydro-2H-imidazol-2-oneHCID 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 688249144-chloro-7-[2-oxo-2-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]-9-(pyridin-4-ylmethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-8-one

Sources & evidence

ORD record
ord-5c55683d1aab4fd5bd2dadd089a5e698
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…