Hydrochloric Acid → HCID 178485893, compound

HRID 91920Notes

Reaction equation

HRID 91920 reaction equation
[Br: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].[O:31]1[CH2:32][CH2:33][CH:34]([C:37](=[O:38])[OH:39])[CH2:35][CH2:36]1>>[Br: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:37]([CH:34]3[CH2:33][CH2:32][O:31][CH2:36][CH2:35]3)=[O:38])[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 219302Oxane-4-carboxylic acidHCID 1235760781-[3-Bromo-5-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea

Product 1

HCID 178485893HCID 178485893, compound

Sources & evidence

ORD record
ord-369b1ab0fec847dcb71c11c0f0a10213
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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