HRID2154100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID87111

6-Chloro-1H-indole

C8H6ClN

HCID4574913

未命名化合物

结构：CC(=O)N1Cc2cc(S(=O)(=O)Cl)ccc2C(C)(C)C1

HCID22592023

2-Acetyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinoline-7-sulfonyl Chloride

C13H16ClNO3S

PRODUCTS

生成物

结构：CC(=O)N1Cc2cc(S(=O)(=O)n3ccc4ccc(Cl)cc43)ccc2C(C)(C)C1

HCID22592026

1-[7-(6-Chloro-indole-1-sulfonyl)-4,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-ethanone

C21H21ClN2O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fcb266375244e14b245dba02c4dfd42
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:17]([CH3:18])(=[O:19])[N:20]1[CH2:21][c:22]2[cH:23][c:24]([S:32](=[O:33])(=[O:34])[Cl:35])[cH:25][cH:26][c:27]2[C:28]([CH3:30])([CH3:31])[CH2:29]1.[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[Cl:7][c:8]1[cH:9][cH:10][c:11]2[cH:12][cH:13][nH:14][c:15]2[cH:16]1.[K+:6].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH2:47]>>[Cl:7][c:8]1[cH:9][cH:10][c:11]2[cH:12][cH:13][n:14]([S:32]([c:24]3[cH:23][c:22]4[c:27]([cH:26][cH:25]3)[C:28]([CH3:30])([CH3:31])[CH2:29][N:20]([C:17]([CH3:18])=[O:19])[CH2:21]4)(=[O:33])=[O:34])[c:15]2[cH:16]1