Benzene → 3-[1-Allyl-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ureido]propionaldehyde

반응식

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

참가 물질

반응물 3

HCID 241Benzene

HCID 214000913-Allylaminopropionaldehyde

HCID 539244442-Cyclohexyl-5-isocyanato-1,3,4-thiadiazole

생성물 1

HCID 214819043-[1-Allyl-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ureido]propionaldehyde

출처 및 근거

ORD 기록: ord-20518af7216b4135adc8a833e66addd8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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