Ethanol → 1-[3-Hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-3-phenylurea

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 7672Phenyl isocyanate

HCID 193735744-Amino-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-3-ol

생성물 1

HCID 193735761-[3-Hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-3-phenylurea

출처 및 근거

ORD 기록: ord-f6a9086d86be4fdaabd0808854dbb121
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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