HRID126385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6940

2-Bromobenzoic acid

C7H5BrO2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID2756058

Tert-butyl 1,4-diazepane-1-carboxylate

C10H20N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccccc2Br)CC1

HCID57875796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7280be0010b49a8909424021d048295
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[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