Dimethylformamide → N-(6-(4-(4-amino-5-chloro-2-methoxybenzoylaminomethyl)-piperidin-1-yl)hexyl)-1-methyl-1 H-indole-3-carboxamide

HRID 296437

반응식

HRID 296437 반응식
[CH2:51]([N:52]=[C:53]=[N:54][CH2:55][CH2:56][CH2:57][N:58]([CH3:59])[CH3:60])[CH3:61].[CH3:28][n:29]1[cH:30][c:31]([C:38](=[O:39])[OH:40])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12.[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[NH2:1][c:2]1[cH:3][c:4]([O:26][CH3:27])[c:5]([C:6](=[O:7])[NH:8][CH2:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][NH2:22])[CH2:14][CH2:15]2)[cH:23][c:24]1[Cl:25].[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[NH2:1][c:2]1[cH:3][c:4]([O:26][CH3:27])[c:5]([C:6](=[O:7])[NH:8][CH2:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][NH:22][C:38]([c:31]3[cH:30][n:29]([CH3:28])[c:37]4[c:32]3[cH:33][cH:34][cH:35][cH:36]4)=[O:39])[CH2:14][CH2:15]2)[cH:23][c:24]1[Cl:25]

참가 물질

6

반응물 5

HCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 8540401-Methylindole-3-carboxylic acidHCID 536836374-Amino-N-(1-(6-aminohexyl)piperidin-4-ylmethyl)-5-chloro-2-methoxybenzamide

생성물 1

HCID 54404871N-(6-(4-(4-amino-5-chloro-2-methoxybenzoylaminomethyl)-piperidin-1-yl)hexyl)-1-methyl-1 H-indole-3-carboxamide

출처 및 근거

ORD 기록
ord-27f5d9cfd444479786a82cb2b9e0fba0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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