Hydrochloric Acid → HCID 178520155, compound

HRID 669484Notes

Reaction equation

HRID 669484 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].[ClH:30].[c:31]1(-[c:37]2[cH:38][c:39]([CH:42]3[CH2:43][CH2:44][NH:45][CH2:46][CH2:47]3)[n:40][nH:41]2)[cH:32][cH:33][cH:34][cH:35][cH:36]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:21])[N:45]1[CH2:44][CH2:43][CH:42]([c:39]3[cH:38][c:37](-[c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[nH:41][n:40]3)[CH2:47][CH2:46]1)[CH2:17]2

Participants

5

Reactant 4

HCID 313Hydrochloric Acid3×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-oneHCID 178420065HCID 178420065, compound

Product 1

HCID 178520155HCID 178520155, compound

Sources & evidence

ORD record
ord-7ebc551c3b9d475eaafd6cbc2e833887
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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