HRID800708

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID6847

1-Naphthoic acid

C11H8O2

HCID10541

Trimethyl orthophosphate

C3H9O4P

HCID24386

Thionyl chloride

Cl2OS

HCID94429

Triphosgene

C3Cl6O3

HCID12052259

2-Naphthalenecarboxylic acid, 6-(aminocarbonyl)-, methyl ester

C13H11NO3

PRODUCTS

生成物

HCID12433083

Methyl 6-cyanonaphthalene-2-carboxylate

C13H9NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-982580fb88854422b96b1d2fa57ac049
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:49]([Cl:50])[Cl:51].[CH3:20][O:21][C:22](=[O:23])[c:24]1[cH:25][c:26]2[cH:27][cH:28][c:29]([C:34]([NH2:35])=[O:36])[cH:30][c:31]2[cH:32][cH:33]1.[CH3:52][O:53][P:54]([O:55][CH3:56])([O:57][CH3:58])=[O:59].[Cl-:14].[Cl:37][C:38]([Cl:39])([O:40][C:41](=[O:42])[O:43][C:44]([Cl:45])([Cl:46])[Cl:47])[Cl:48].[NH3:19].[S:15]([Cl:16])([Cl:17])=[O:18].[c:1]1([C:2]([OH:3])=[O:4])[c:5]2[c:6]([cH:7][cH:8][cH:9][cH:10]2)[cH:11][cH:12][cH:13]1>>[CH3:20][O:21][C:22](=[O:23])[c:24]1[cH:25][c:26]2[cH:27][cH:28][c:29]([C:34]#[N:35])[cH:30][c:31]2[cH:32][cH:33]1