4-Methylphenyl isocyanate → 4-p-Tolylcarbamoyl-2,2,7,7-tetramethyl-1,4-diazacycloheptan-5-one

반응식

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

참가 물질

반응물 2

HCID 693254-Methylphenyl isocyanate

HCID 5469102,2,7,7-Tetramethyl-1,4-diazepan-5-one

생성물 1

HCID 215302984-p-Tolylcarbamoyl-2,2,7,7-tetramethyl-1,4-diazacycloheptan-5-one

출처 및 근거

ORD 기록: ord-ea6f9ad4955c4063a625af19860612a0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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