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Hydrochloric Acid → 4-[4,5-Bis-(4-chloro-phenyl)-2-(2-ethoxy-4-trifluoromethyl-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazine-1-carbothioic acid methylamide

HRID 112173
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반응식

HRID 112173 반응식
[CH2:50]([Cl:51])[Cl:52].[CH3:46][N:47]=[C:48]=[S:49].[Cl:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[N:10]=[C:11]([c:33]3[c:34]([O:43][CH2:44][CH3:45])[cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]3)[N:12]([C:21](=[O:22])[N:23]3[CH2:24][CH2:25][N:26]([CH2:29][CH2:30][C:31]#[N:32])[CH2:27][CH2:28]3)[CH:13]2[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:7][cH:8]1.[ClH:1]>>[Cl:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[N:10]=[C:11]([c:33]3[c:34]([O:43][CH2:44][CH3:45])[cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]3)[N:12]([C:21](=[O:22])[N:23]3[CH2:24][CH2:25][N:26]([C:48]([NH:47][CH3:46])=[S:49])[CH2:27][CH2:28]3)[CH:13]2[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:7][cH:8]1
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반응물 4

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 11167Methyl isothiocyanateHCID 111815003-{4-[4,5-Bis-(4-chloro-phenyl)-2-(2-ethoxy-4-trifluoromethyl-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-1-yl}-propionitrile

생성물 1

HCID 112508864-[4,5-Bis-(4-chloro-phenyl)-2-(2-ethoxy-4-trifluoromethyl-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazine-1-carbothioic acid methylamide

출처 및 근거

ORD 기록
ord-db71dc40a79c400098216f1c57ae0b16
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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