Hexane → 1,1-dibutyl-3-(2,4-dimethylphenyl)urea

반응식

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

참가 물질

반응물 3

HCID 8058Hexane

HCID 8148Dibutylamine

HCID 52075851-Isocyanato-2,4-dimethylbenzene

생성물 1

HCID 44263801,1-dibutyl-3-(2,4-dimethylphenyl)urea

출처 및 근거

ORD 기록: ord-d017072e3d0541d0abb1da693a955988
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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