Octadecyl isocyanate → 4-n-Octadecylcarbamoyl-2,2,7,7-tetramethyl-1,4-diazacycloheptan-5-one

반응식

[CH2:13]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[N:31]=[C:32]=[O:33].[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>>[CH3:1][C:2]1([CH3:12])[NH:3][C:4]([CH3:10])([CH3:11])[CH2:5][C:6](=[O:9])[N:7]([C:32]([NH:31][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])=[O:33])[CH2:8]1

참가 물질

반응물 2

HCID 66988Octadecyl isocyanate

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

생성물 1

HCID 215303284-n-Octadecylcarbamoyl-2,2,7,7-tetramethyl-1,4-diazacycloheptan-5-one

출처 및 근거

ORD 기록: ord-8e6020bee01f4ba79bba666de68955bb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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