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Toluene → Methyl 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazol-2-ylcarbamoylsulfanyl)benzoyl]amino]butanoate

HRID 2124289
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HRID 2124289 반응식
[CH2:60]([Cl:61])[Cl:62].[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:9][c:10]([SH:13])[cH:11][cH:12]1)=[O:20])[CH2:21][CH2:22][S:23][CH3:24])=[O:25].[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH3:37][NH:38][N:39]1[CH:40]=[CH:41][C:42]([NH:43][CH3:44])=[CH:45][CH2:46]1.[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[Cl:26][C:27]([Cl:28])=[O:29].[NH2:47][c:48]1[s:49][cH:50][cH:51][n:52]1>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:9][c:10]([S:13][C:27](=[O:29])[NH:47][c:48]2[s:49][cH:50][cH:51][n:52]2)[cH:11][cH:12]1)=[O:20])[CH2:21][CH2:22][S:23][CH3:24])=[O:25]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 1140TolueneHCID 21552-AminothiazoleHCID 6344DichloromethaneHCID 6371PhosgeneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 223379141,4-Dimethylaminopyridine
HCID 23436400
Methyl 4-methylsulfanyl-2-[(2-phenyl-4-sulfanylbenzoyl)amino]butanoate

생성물 1

HCID 18361344Methyl 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazol-2-ylcarbamoylsulfanyl)benzoyl]amino]butanoate

출처 및 근거

ORD 기록
ord-c16abc38c7584d248ce7d026982bcd80
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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