HRID824404

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID280302

4-Aminomethylindole

C9H10N2

HCID18673026

3-Bromo-4-(methoxycarbonyl)benzoic acid

C9H7BrO4

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(=O)NCc2cccc3[nH]ccc23)cc1Br

HCID23560769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbbdd254bf9948f2bf8e7adb86480cba
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:10][c:11]1[cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18][c:19]1[C:20](=[O:21])[O:22][CH3:23].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[ClH:48].[OH:60][n:61]1[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1.[P-:24]([F:25])([F:26])([F:27])([F:28])([F:29])[F:30].[n:31]1([O:32][C:33]([N:34]([CH3:35])[CH3:36])=[N+:37]([CH3:38])[CH3:39])[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1.[nH:49]1[cH:50][cH:51][c:52]2[c:53]([CH2:58][NH2:59])[cH:54][cH:55][cH:56][c:57]12>>[Br:10][c:11]1[cH:12][c:13]([C:14](=[O:16])[NH:59][CH2:58][c:53]2[c:52]3[cH:51][cH:50][nH:49][c:57]3[cH:56][cH:55][cH:54]2)[cH:17][cH:18][c:19]1[C:20](=[O:21])[O:22][CH3:23]