Hydrochloric Acid → HCID 178485905, 화합물

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[CH:34]1([N:39]=[C:40]=[O:41])[CH2:35][CH2:36][CH2:37][CH2:38]1.[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: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:40]([NH:39][CH:34]3[CH2:35][CH2:36][CH2:37][CH2:38]3)=[O:41])[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

반응물 3

HCID 313Hydrochloric Acid

HCID 643500Cyclopentyl Isocyanate

HCID 1237750161-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea

생성물 1

HCID 178485905HCID 178485905, 화합물

출처 및 근거

ORD 기록: ord-16fe338f5e644b00b1fae8cf38f64964
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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