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Pyridine → 3-[2-(cis-4-t-Butoxycarbonylaminocyclohexyloxy)-4-methylthiobenzoylamino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide

HRID 144378
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HRID 144378 반응식
[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[NH:14][CH:15]1[CH2:16][CH2:17][CH:18]([O:21][c:22]2[c:23]([C:24](=[S:25])[OH:26])[cH:27][cH:28][c:29]([CH3:31])[cH:30]2)[CH2:19][CH2:20]1.[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:60][CH2:61][Cl:62].[NH2:43][c:44]1[c:45]([C:50](=[O:51])[NH:52][c:53]2[n:54][cH:55][c:56]([Cl:59])[cH:57][cH:58]2)[n:46][cH:47][cH:48][cH:49]1.[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1>>[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[NH:14][CH:15]1[CH2:16][CH2:17][CH:18]([O:21][c:22]2[c:23]([C:24](=[S:25])[NH:43][c:44]3[c:45]([C:50](=[O:51])[NH:52][c:53]4[n:54][cH:55][c:56]([Cl:59])[cH:57][cH:58]4)[n:46][cH:47][cH:48][cH:49]3)[cH:27][cH:28][c:29]([CH3:31])[cH:30]2)[CH2:19][CH2:20]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 1049PyridineHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 65578Oxalyl chlorideHCID 115578513-amino-N-(5-chloropyridin-2-yl)pyridine-2-carboxamideHCID 178425918HCID 178425918, 화합물

생성물 1

HCID 86619997
3-[2-(cis-4-t-Butoxycarbonylaminocyclohexyloxy)-4-methylthiobenzoylamino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide

출처 및 근거

ORD 기록
ord-bdbf78f066e54ef6ae0dff5972be3154
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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