Hydrochloric Acid → HCID 178500958, compound

HRID 2342098Notes

Reaction equation

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:27]2[cH:28][cH:29][c:30]([CH2:33][C:34](=[O:35])[N:36]3[CH2:37][CH2:38][CH:39]([OH:40])[CH2:41]3)[cH:31][cH:32]2)[c:8]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17]([O:20][c:21]3[cH:22][cH:23][n:24][cH:25][cH:26]3)[cH:18][cH:19]2)[cH:9]1.[CH3:43][O:44][C:45]([CH:46]([NH2:47])[CH2:48][OH:49])=[O:50].[ClH:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:27]2[cH:28][cH:29][c:30]([CH2:33][C:34](=[O:35])[NH:47][CH:46]([C:45]([O:44][CH3:43])=[O:50])[CH2:48][OH:49])[cH:31][cH:32]2)[c:8]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17]([O:20][c:21]3[cH:22][cH:23][n:24][cH:25][cH:26]3)[cH:18][cH:19]2)[cH:9]1

Participants

Reactant 3

HCID 313Hydrochloric Acid

HCID 416960Methyl DL-serinate

HCID 730223371-[3-Tert-butyl-1-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea

Product 1

HCID 178500958HCID 178500958, compound

Sources & evidence

ORD record: ord-f63cda7c4ae246a089eecd86ab53bfc2
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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