HRID152851

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-

HCID68513

Bromoterephthalic acid

C8H5BrO4

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID735894

Phenol, 3-(aminomethyl)-

C7H9NO

PRODUCTS

生成物

结构：O=C(NCc1cccc(O)c1)c1ccc(C(=O)O)c(Br)c1

HCID22661323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e301b3da9a4c4e17ad4bad900ac9e2d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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