Ethyl Acetate → N-[5-(N,N-dimethylaminosulfonyl)-1,3,4-thiadiazol-2-yl]-N'-[2,2-dimethyl-2-(4-methyl-1,3-dioxan-2-yl)ethyl]-N'-methylurea

반응식

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

참가 물질

반응물 3

HCID 8857Ethyl Acetate

HCID 128944545-(N,N-Dimethylaminosulfonyl)-1,3,4-thiadiazol-2-yl isocyanate

HCID 12894460N-[2,2-dimethyl-2-(4-methyl-1,3-dioxan-2-yl)ethyl]methylamine

생성물 1

HCID 20286115N-[5-(N,N-dimethylaminosulfonyl)-1,3,4-thiadiazol-2-yl]-N'-[2,2-dimethyl-2-(4-methyl-1,3-dioxan-2-yl)ethyl]-N'-methylurea

출처 및 근거

ORD 기록: ord-677f0f05477e49c9aa2314b959635888
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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