Ethanol → HCID 18975131, 화합물

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 12228Methyl Isocyanate

HCID 18975143HCID 18975143, 화합물

생성물 1

HCID 18975131HCID 18975131, 화합물

출처 및 근거

ORD 기록: ord-dabdecb966174f6eb9cd07b03f8dc798
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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