HRID1564160

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID580651

N-ETHYL-4-CHLOROBENZYLAMINE

C9H12ClN

HCID69391758

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1ccc(OCC(=O)N(CC)Cc2ccc(Cl)cc2)cc1)OCC

HCID178471060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71a231cfeebd480e88e3e272610bc354
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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