Hydrochloric Acid → HCID 178501970, compound

HRID 319434Notes

Reaction equation

HRID 319434 reaction equation
[CH3:31][O:32][C:33](=[O:34])[NH:35][CH:36]1[CH2:37][CH2:38][CH:39]([C:42](=[O:43])[OH:44])[CH2:40][CH2:41]1.[Cl:2][c:3]1[cH:4][c:5]([N:13]([C:14](=[O:15])[N:16]([CH3:17])[CH:18]2[CH2:19][NH:20][CH2:21][CH:22]2[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[CH3:30])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1.[ClH:1]>>[Cl:2][c:3]1[cH:4][c:5]([N:13]([C:14](=[O:15])[N:16]([CH3:17])[CH:18]2[CH2:19][N:20]([C:42]([CH:39]3[CH2:38][CH2:37][CH:36]([NH:35][C:33]([O:32][CH3:31])=[O:34])[CH2:41][CH2:40]3)=[O:43])[CH2:21][CH:22]2[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[CH3:30])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 58375509(1R,4R)-4-((Methoxycarbonyl)amino)cyclohexane-1-carboxylic acidHCID 1232601861-[3-Chloro-5-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea

Product 1

HCID 178501970HCID 178501970, compound

Sources & evidence

ORD record
ord-2c52a4cf323f47678ad1bf984ee41ce0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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