alpha-Methylbenzyl isocyanate → N-(alpha-methylbenzyl)-N'-(3-(1-methylpiperidin-4-yl)-1H-indol-5-yl)urea

반응식

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

참가 물질

반응물 2

HCID 85760alpha-Methylbenzyl isocyanate

HCID 118312203-(1-Methylpiperidin-4-yl)-1h-indol-5-amine

생성물 1

HCID 22611516N-(alpha-methylbenzyl)-N'-(3-(1-methylpiperidin-4-yl)-1H-indol-5-yl)urea

출처 및 근거

ORD 기록: ord-af9baedaba414e479a371b383fa424ae
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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