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Pyridine → N4-[2-(3-tert-Butoxycarbonylaminopropoxy)-4-methoxybenzoyl]-N3-(4-methoxybenzoyl)-3,4-pyridinediamine

HRID 182157
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HRID 182157 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][O:12][c:13]1[c:14]([C:15](=[O:16])[OH:17])[cH:18][cH:19][c:20]([O:22][CH3:23])[cH:21]1.[CH3:30][O:31][c:32]1[cH:33][cH:34][c:35]([C:36](=[O:37])[NH:38][c:39]2[cH:40][n:41][cH:42][cH:43][c:44]2[NH2:45])[cH:46][cH:47]1.[CH:57]([Cl:58])([Cl:59])[Cl:60].[Cl:24][C:25]([C:26]([Cl:27])=[O:28])=[O:29].[Cl:54][CH2:55][Cl:56].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][O:12][c:13]1[c:14]([C:15](=[O:17])[NH:45][c:44]2[c:39]([NH:38][C:36]([c:35]3[cH:34][cH:33][c:32]([O:31][CH3:30])[cH:47][cH:46]3)=[O:37])[cH:40][n:41][cH:42][cH:43]2)[cH:18][cH:19][c:20]([O:22][CH3:23])[cH:21]1
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참가 물질

8

반응물 7

HCID 1049PyridineHCID 6212ChloroformHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 65578Oxalyl chlorideHCID 12069538N3-(4-methoxybenzoyl)-3,4-pyridinediamineHCID 685323072-(3-Tert-butoxycarbonylaminopropoxy)-4-methoxybenzoic acid

생성물

1
HCID 69492866N4-[2-(3-tert-Butoxycarbonylaminopropoxy)-4-methoxybenzoyl]-N3-(4-methoxybenzoyl)-3,4-pyridinediamine

출처 및 근거

ORD 기록
ord-9a3f67b8897b46fbb5dd3030fa65bd36
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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