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Hydrochloric Acid → 2-benzoyl-4-bromo-N-(2-hydroxybutyl)-N-(4-methoxybenzyl)benzamide

HRID 206357
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HRID 206357 반응식
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15][c:16]([Br:18])[cH:17]1.[CH2:46]([N:47]=[C:48]=[N:49][CH2:50][CH2:51][CH2:52][N:53]([CH3:54])[CH3:55])[CH3:56].[CH3:19][O:20][c:21]1[cH:22][cH:23][c:24]([CH2:25][NH:26][CH2:27][CH:28]([CH2:29][CH3:30])[OH:31])[cH:32][cH:33]1.[CH3:57][C:58]#[N:59].[ClH:45].[OH2:34].[OH:35][n:36]1[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[c:10]([C:11](=[O:13])[N:26]([CH2:25][c:24]2[cH:23][cH:22][c:21]([O:20][CH3:19])[cH:33][cH:32]2)[CH2:27][CH:28]([CH2:29][CH3:30])[OH:31])[cH:14][cH:15][c:16]([Br:18])[cH:17]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 3467342-Benzoyl-4-bromobenzoic acidHCID 230606491-(4-Methoxybenzylamino)butan-2-ol

생성물

1
HCID 230607812-benzoyl-4-bromo-N-(2-hydroxybutyl)-N-(4-methoxybenzyl)benzamide

출처 및 근거

ORD 기록
ord-2f9e044ddeb94371bcc8cbdaf72b9210
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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