HRID162609

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6593

Dichloroacetyl chloride

C2HCl3O

HCID7412

Benzoyl chloride

C7H5ClO

HCID8405

Isoquinoline

C9H7N

HCID11398

2-Phenyl-1-propanamine

C9H13N

HCID13738934

4-Methyl-1,2,3,4-tetrahydroisoquinoline

C10H13N

HCID14612677

1,2,3,4-Tetrahydro-4-methyl-1-phenylisoquinoline

C16H17N

PRODUCTS

生成物

结构：CC1CN(C(=O)C(Cl)Cl)C(c2ccccc2)c2ccccc21

HCID20133053

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-781fae800bfe4ce7b22dd9ecb3d5a36c
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

[C:11]([Cl:12])(=[O:13])[c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH2:67]([Cl:68])[Cl:69].[CH3:1][CH:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[CH2:9][NH2:10].[CH3:20][CH:21]1[c:22]2[c:23]([cH:24][cH:25][cH:26][cH:27]2)[CH2:28][NH:29][CH2:30]1.[CH3:31][CH:32]1[CH2:33][NH:34][CH:35]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]21.[Cl:60][CH:61]([Cl:62])[C:63]([Cl:64])=[O:65].[Na+:59].[OH-:58].[OH2:66].[cH:48]1[cH:49][c:50]2[c:51]([cH:52][n:53][cH:54][cH:55]2)[cH:56][cH:57]1>>[CH3:31][CH:32]1[CH2:33][N:34]([C:63]([CH:61]([Cl:60])[Cl:62])=[O:65])[CH:35]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]21