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Water → 4-(2-Bromo-benzoyl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester

HRID 126385
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인쇄 미리보기

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HRID 126385 반응식
[Br:10][c:11]1[c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17][cH:18][cH:19]1.[C:41]([CH3:42])([CH3:43])([CH3:44])[O:45][C:46](=[O:47])[N:48]1[CH2:49][CH2:50][NH:51][CH2:52][CH2:53][CH2:54]1.[CH3:20][CH2:21][N:22]=[C:23]=[N:24][CH2:25][CH2:26][CH2:27][N:28]([CH3:29])[CH3:30].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:60].[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]1>>[Br:10][c:11]1[c:12]([C:13](=[O:15])[N:51]2[CH2:50][CH2:49][N:48]([C:46]([O:45][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:47])[CH2:54][CH2:53][CH2:52]2)[cH:16][cH:17][cH:18][cH:19]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 962WaterHCID 6228DimethylformamideHCID 69402-Bromobenzoic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 2756058Tert-butyl 1,4-diazepane-1-carboxylate

생성물

1
HCID 578757964-(2-Bromo-benzoyl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-d7280be0010b49a8909424021d048295
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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