Hydrochloric Acid → 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)-1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]-1,3-dimethylurea

HRID 97818

반응식

HRID 97818 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].[s:34]1[c:35]([C:39](=[O:40])[OH:41])[n:36][cH:37][cH:38]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:39]([c:35]3[s:34][cH:38][cH:37][n:36]3)=[O:40])[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 27627331,3-Thiazole-2-carboxylic acidHCID 1237750161-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea

생성물 1

HCID 1237166011-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)-1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]-1,3-dimethylurea

출처 및 근거

ORD 기록
ord-dea4bcc3afab40d0acb8f598e2ae5855
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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