Phenyl 3-isopropylisoxazol-5-ylcarbamate → Phenyl 3-(2-cyanopropan-2-yl)isoxazol-5-ylcarbamate

반응식

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

참가 물질

반응물 2

HCID 13489689Phenyl 3-isopropylisoxazol-5-ylcarbamate

HCID 668766082-(5-Aminoisoxazol-3-yl)-2-methylpropanenitrile

생성물 1

HCID 66877010Phenyl 3-(2-cyanopropan-2-yl)isoxazol-5-ylcarbamate

출처 및 근거

ORD 기록: ord-3e09ccd607eb4c8985c7e355076d5c97
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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