Dimethylformamide → {3-[5-(4-Dimethylsulfamoyl-phenyl)-4-methyl-thiazol-2-yl]-ureido}-acetic acid ethyl ester

반응식

[CH3:29][N:30]([CH3:31])[CH:32]=[O:33].[N:20](=[C:21]=[O:22])[CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28].[NH2:1][c:2]1[s:3][c:4](-[c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[N:17]([CH3:18])[CH3:19])[cH:12][cH:13]2)[c:5]([CH3:7])[n:6]1>>[NH:1]([c:2]1[s:3][c:4](-[c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[N:17]([CH3:18])[CH3:19])[cH:12][cH:13]2)[c:5]([CH3:7])[n:6]1)[C:21]([NH:20][CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28])=[O:22]

참가 물질

반응물 3

HCID 6228Dimethylformamide

HCID 76283Ethyl isocyanatoacetate

HCID 858617264-(2-Amino-4-methyl-thiazol-5-yl)-N,N-dimethyl-benzenesulfonamide

생성물 1

HCID 86598400{3-[5-(4-Dimethylsulfamoyl-phenyl)-4-methyl-thiazol-2-yl]-ureido}-acetic acid ethyl ester

출처 및 근거

ORD 기록: ord-670f267ce5484d0a8d6db9c671c68f23
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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