Trimethylsilyl isocyanate → 4-[(3,5-Dimethyl-pyridin-2-ylmethyl)-(3-isopropyl-pyridin-2-ylmethyl)-amino]-piperidine-1-carboxylic acid amide

반응식

[CH3:1][c:2]1[c:3]([CH2:9][N:10]([CH:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[CH2:17][c:18]2[n:19][cH:20][cH:21][cH:22][c:23]2[CH:24]([CH3:25])[CH3:26])[n:4][cH:5][c:6]([CH3:8])[cH:7]1.[CH3:27][Si:28]([CH3:29])([CH3:30])[N:31]=[C:32]=[O:33]>>[CH3:1][c:2]1[c:3]([CH2:9][N:10]([CH:11]2[CH2:12][CH2:13][N:14]([C:32]([NH2:31])=[O:33])[CH2:15][CH2:16]2)[CH2:17][c:18]2[n:19][cH:20][cH:21][cH:22][c:23]2[CH:24]([CH3:25])[CH3:26])[n:4][cH:5][c:6]([CH3:8])[cH:7]1

참가 물질

반응물 2

HCID 70696Trimethylsilyl isocyanate

HCID 58997074(3,5-Dimethyl-pyridin-2-ylmethyl)-(3-isopropyl-pyridin-2-ylmethyl)-piperidin-4-yl-amine

생성물 1

HCID 589970564-[(3,5-Dimethyl-pyridin-2-ylmethyl)-(3-isopropyl-pyridin-2-ylmethyl)-amino]-piperidine-1-carboxylic acid amide

출처 및 근거

ORD 기록: ord-ac27ef8ca75442f2ba646737583557ba
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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