Hydrochloric Acid → HCID 68825905, compound

HRID 2152202Notes

Reaction equation

HRID 2152202 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:47][c:48]1[c:49]2[nH:50][n:51][cH:52][c:53]2[c:54]2[c:86]([cH:87]1)[CH2:85][CH:64]([CH2:65][C:66](=[O:67])[N:68]1[CH2:69][CH2:70][CH:71]([N:72]3[CH2:73][c:74]4[c:75]([cH:76][cH:77][cH:78][cH:79]4)[NH:80][C:81]3=[O:82])[CH2:83][CH2:84]1)[C:62](=[O:63])[N:56]([CH2:57][C:58]([CH3:59])([CH3:60])[CH3:61])[CH2:55]2.[ClH:1].[ClH:2].[NH:30]1[CH2:31][CH2:32][CH:33]([c:36]2[c:37](=[O:46])[nH:38][c:39]3[cH:40][cH:41][cH:42][cH:43][c:44]3[cH:45]2)[CH2:34][CH2:35]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:21])[N:30]1[CH2:31][CH2:32][CH:33]([c:36]3[c:37](=[O:46])[nH:38][c:39]4[cH:40][cH:41][cH:42][cH:43][c:44]4[cH:45]3)[CH2:34][CH2:35]1)[CH2:17]2

Participants

5

Reactant 4

HCID 313Hydrochloric Acid2×HCID 183210463-(Piperidin-4-yl)quinolin-2(1H)-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 68825905HCID 68825905, compound

Sources & evidence

ORD record
ord-716dcab1aa3246c5a5cfcbf32f9b8faa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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