Hydrochloric Acid → HCID 123765802, compound

HRID 1225993Notes

Reaction equation

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

Participants

Reactant 3

HCID 313Hydrochloric Acid

HCID 37328412-Methanesulfonylacetic acid

HCID 1235880001-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,3-dimethylurea

Product 1

HCID 123765802HCID 123765802, compound

Sources & evidence

ORD record: ord-7025b8090f9c47d1ba87190b97538755
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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