Dimethylformamide → 4-[Bis-(3-methyl-pyridin-2-ylmethyl)-amino]-piperidine-1-carboxylic acid (1-methyl-1H-benzoimidazol-2-yl)-amide

HRID 1544578

反応式

HRID 1544578 の反応式
[C:1](=[O:2])([n:3]1[cH:4][cH:5][n:6][cH:7]1)[n:8]1[cH:9][cH:10][n:11][cH:12]1.[CH3:33][c:34]1[c:35]([CH2:40][N:41]([CH:42]2[CH2:43][CH2:44][NH:45][CH2:46][CH2:47]2)[CH2:48][c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[CH3:55])[n:36][cH:37][cH:38][cH:39]1.[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[NH2:13][c:14]1[n:15][c:16]2[c:17]([n:18]1[CH3:19])[cH:20][cH:21][cH:22][cH:23]2.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[C:1](=[O:2])([NH:13][c:14]1[n:15][c:16]2[c:17]([n:18]1[CH3:19])[cH:20][cH:21][cH:22][cH:23]2)[N:45]1[CH2:44][CH2:43][CH:42]([N:41]([CH2:40][c:35]2[c:34]([CH3:33])[cH:39][cH:38][cH:37][n:36]2)[CH2:48][c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[CH3:55])[CH2:47][CH2:46]1

参加物

6

反応物 5

HCID 6228DimethylformamideHCID 682631,1'-CarbonyldiimidazoleHCID 741872-Amino-1-methylbenzimidazoleHCID 81531DiisopropylethylamineHCID 58996965Bis-(3-methyl-pyridin-2-ylmethyl)-piperidin-4-yl-amine

生成物 1

HCID 589970074-[Bis-(3-methyl-pyridin-2-ylmethyl)-amino]-piperidine-1-carboxylic acid (1-methyl-1H-benzoimidazol-2-yl)-amide

出典と根拠

ORDレコード
ord-66bf6345355043e993a2dad73e1668de
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

関連ノート

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