Phosgene → Pyridine-2-carboxylic acid [2-(4-cyclohexancarbonyl-phenyl)-3H-imidazo[4,5-c]pyridin-6-yl]-amide

반응식

[C:26](=[O:27])([Cl:28])[Cl:29].[CH2:30]1[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1.[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([cH:12][n:13][c:14]([NH:16][C:17](=[O:18])[c:19]4[n:20][cH:21][cH:22][cH:23][cH:24]4)[cH:15]3)[nH:25]2)[cH:6][cH:7]1>>[c:2]1([C:26](=[O:27])[CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([cH:12][n:13][c:14]([NH:16][C:17](=[O:18])[c:19]4[n:20][cH:21][cH:22][cH:23][cH:24]4)[cH:15]3)[nH:25]2)[cH:6][cH:7]1

참가 물질

반응물 3

HCID 6371Phosgene

HCID 8078Cyclohexane

HCID 58932927Pyridine-2-carboxylic acid [2-(4-amino-phenyl)-3H-imidazo[4,5-c]pyridin-6-yl]-amide

생성물 1

HCID 86592845Pyridine-2-carboxylic acid [2-(4-cyclohexancarbonyl-phenyl)-3H-imidazo[4,5-c]pyridin-6-yl]-amide

출처 및 근거

ORD 기록: ord-3adb701ede42460087bb1242115de699
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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