Phosgene → Adamantane carboxylic acid [2-(4-nitro-phenyl)-3H-imidazo[4,5-c]pyridine-6-yl]-amide

반응식

[C:20](=[O:21])([Cl:22])[Cl:23].[CH:24]12[CH2:25][CH:26]3[CH2:27][CH:28]([CH2:29][CH:30]([CH2:31]1)[CH2:32]3)[CH2:33]2.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][c:12]3[c:13]([cH:14][n:15][c:16]([NH2:18])[cH:17]3)[nH:19]2)[cH:8][cH:9]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][c:12]3[c:13]([cH:14][n:15][c:16]([NH:18][C:20](=[O:21])[C:24]45[CH2:25][CH:26]6[CH2:27][CH:28]([CH2:29][CH:30]([CH2:31]4)[CH2:32]6)[CH2:33]5)[cH:17]3)[nH:19]2)[cH:8][cH:9]1

참가 물질

반응물 3

HCID 6371Phosgene

HCID 9238Adamantane

HCID 589329182-(4-Nitro-phenyl)-3H-imidazo[4,5-c]pyridine-6-ylamine

생성물 1

HCID 58932930Adamantane carboxylic acid [2-(4-nitro-phenyl)-3H-imidazo[4,5-c]pyridine-6-yl]-amide

출처 및 근거

ORD 기록: ord-ce4c9e5e6b6a41ea83903d7434ffd21c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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