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Water → N-tert-Butyl-3-((4-(5-chloro-4-(3-isobutylureido)-2-methoxybenzoyl)piperazin-1-yl)methyl)-benzamide

HRID 1209754
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HRID 1209754 반응식
[CH2:47]([CH:48]([CH3:49])[CH3:50])[NH2:51].[Cl:33][C:34](=[O:35])[OH:36].[Cl:52][CH2:53][Cl:54].[N+:37]([c:38]1[cH:39][cH:40][c:41]([OH:42])[cH:43][cH:44]1)([O-:45])=[O:46].[NH2:1][c:2]1[cH:3][c:4]([O:31][CH3:32])[c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[cH:16][c:17]([C:18](=[O:19])[NH:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:25][cH:26][cH:27]3)[CH2:12][CH2:13]2)[cH:28][c:29]1[Cl:30].[OH2:55]>>[NH:1]([c:2]1[cH:3][c:4]([O:31][CH3:32])[c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[cH:16][c:17]([C:18](=[O:19])[NH:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:25][cH:26][cH:27]3)[CH2:12][CH2:13]2)[cH:28][c:29]1[Cl:30])[C:34](=[O:36])[NH:51][CH2:47][CH:48]([CH3:49])[CH3:50]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 962WaterHCID 9804-NitrophenolHCID 6344DichloromethaneHCID 6558IsobutylamineHCID 164602Chloroformic acidHCID 579175773-((4-(4-amino-5-chloro-2-methoxybenzoyl)piperazin-1-yl)methyl)-N-tert-butylbenzamide

생성물 1

HCID 57917623
N-tert-Butyl-3-((4-(5-chloro-4-(3-isobutylureido)-2-methoxybenzoyl)piperazin-1-yl)methyl)-benzamide

출처 및 근거

ORD 기록
ord-45d4dad266124734a5133d3673509fef
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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