Hydrochloric Acid → 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-(4,4-difluorocyclohexanecarbonyl)-4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea

HRID 152841

반응식

HRID 152841 반응식
[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][NH:21][CH2:22][CH:23]2[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[CH3:31])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:32])[F:33].[F:34][C:35]1([F:44])[CH2:36][CH2:37][CH:38]([C:41](=[O:42])[OH:43])[CH2:39][CH2:40]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:41]([CH:38]3[CH2:37][CH2:36][C:35]([F:34])([F:44])[CH2:40][CH2:39]3)=[O:42])[CH2:22][CH:23]2[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[CH3:31])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:32])[F:33]

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 27791364,4-Difluorocyclohexanecarboxylic acidHCID 1237750161-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea

생성물 1

HCID 1237078431-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-(4,4-difluorocyclohexanecarbonyl)-4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea

출처 및 근거

ORD 기록
ord-0348992b8cd64d5d984940180839c121
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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