HRID2341589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID334072

2-Bromobenzylamine

C7H8BrN

HCID22600241

未命名化合物

PRODUCTS

生成物

HCID59636401

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-559b127f4f00429aaf93fff586174a10
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:12][c:13]1[c:14]([CH2:15][NH2:16])[cH:17][cH:18][cH:19][cH:20]1.[CH2:21]([CH3:22])[O:23][CH:24]([C:25](=[O:26])[O-:27])[O:28][CH2:29][CH3:30].[CH3:1][N:2]([CH3:3])[CH2:4][CH2:5][CH2:6][N:7]=[C:8]=[N:9][CH2:10][CH3:11].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Na+:31].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:32].[OH:33][n:34]1[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[Br:12][c:13]1[c:14]([CH2:15][NH:16][C:25]([CH:24]([O:23][CH2:21][CH3:22])[O:28][CH2:29][CH3:30])=[O:26])[cH:17][cH:18][cH:19][cH:20]1