Benzene → HCID 54373746, 화합물

반응식

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

참가 물질

반응물 3

HCID 241Benzene

HCID 537505795-Methylthio-1,3,4-thiadiazol-2-yl isocyanate

HCID 54499301HCID 54499301, 화합물

생성물 1

HCID 54373746HCID 54373746, 화합물

출처 및 근거

ORD 기록: ord-5c8ab662ced6437f98826c754cb67298
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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