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Pyridine → 2-[4-(tert-Butyl)-2-(1-Boc-piperidin-4-yloxy)benzoylamino]-N-(5-chloropyridin-2-yl)-4-chlorobenzamide

HRID 300591
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반응식

HRID 300591 반응식
[C:19]([CH3:20])([CH3:21])([CH3:22])[c:23]1[cH:24][c:25]([O:32][CH:33]2[CH2:34][CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]2)[c:26]([C:27](=[O:28])[Cl:29])[cH:30][cH:31]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9]([c:10]2[c:11]([NH2:17])[cH:12][c:13]([Cl:16])[cH:14][cH:15]2)=[O:18])[n:6][cH:7]1.[Cl:52][CH2:53][Cl:54].[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9]([c:10]2[c:11]([NH:17][C:27]([c:26]3[c:25]([O:32][CH:33]4[CH2:34][CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]4)[cH:24][c:23]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:31][cH:30]3)=[O:28])[cH:12][c:13]([Cl:16])[cH:14][cH:15]2)=[O:18])[n:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 1049PyridineHCID 6344DichloromethaneHCID 219061992-amino-4-chloro-N-(5-chloropyridin-2-yl)benzamideHCID 866102604-tert-butyl-2-(1-Boc-piperidin-4-yloxy)benzoyl chloride

생성물 1

HCID 685368592-[4-(tert-Butyl)-2-(1-Boc-piperidin-4-yloxy)benzoylamino]-N-(5-chloropyridin-2-yl)-4-chlorobenzamide

출처 및 근거

ORD 기록
ord-84a43907627840e2a60d0f27ae3cc4ce
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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