HRID107945

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID24648

Sulfuryl chloride

Cl2O2S

HCID69561216

1,1-Dimethylethyl 3,4-dihydro-5-(hydroxymethyl)-2(1H)-isoquinolinecarboxylate

C15H21NO3

PRODUCTS

生成物

HCID20825952

1,1-Dimethylethyl 5-(chloromethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate

C15H20ClNO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab5156f8d15146f1a20957e859647438
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:14]([CH3:15])([CH3:16])([CH3:17])[O:18][C:19](=[O:20])[N:21]1[CH2:22][c:23]2[cH:24][cH:25][cH:26][c:27]([CH2:31][OH:32])[c:28]2[CH2:29][CH2:30]1.[CH2:39]([N+:40]([CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH4:13].[Cl-:38].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[S:8]([Cl:9])(=[O:10])([Cl:11])=[O:12]>>[Cl:11][CH2:31][c:27]1[cH:26][cH:25][cH:24][c:23]2[c:28]1[CH2:29][CH2:30][N:21]([C:19]([O:18][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:20])[CH2:22]2