HRID2311043

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID76970

5-Chloro-o-anisic acid

C8H7ClO3

HCID130500

未命名化合物

HCID45122262

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cl)cc1C(=O)NC1C(c2ccccc2)C1(C)C

HCID68582256

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43941edb440a4a0c912d0ab5f79b3867
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

[B-:32]([F:33])([F:34])([F:35])[F:36].[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH3:1][C:2]1([CH3:12])[CH:3]([NH2:11])[CH:4]1[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[Cl:20][c:21]1[cH:22][cH:23][c:24]([O:30][CH3:31])[c:25]([C:26](=[O:27])[OH:28])[cH:29]1.[Cl:54][CH2:55][Cl:56].[OH2:57].[n:37]1([O:38][C:39]([N:40]([CH3:41])[CH3:42])=[N+:43]([CH3:44])[CH3:45])[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[CH3:1][C:2]1([CH3:12])[CH:3]([NH:11][C:26]([c:25]2[c:24]([O:30][CH3:31])[cH:23][cH:22][c:21]([Cl:20])[cH:29]2)=[O:27])[CH:4]1[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1