HRID87801

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID949

N,N-Dimethylaniline

C8H11N

HCID1049

Pyridine

C5H5N

HCID6371

Phosgene

CCl2O

HCID7738

(4-Methoxyphenyl)methanol

C8H10O2

HCID69998

Benzeneacetonitrile, .alpha.-(hydroxyimino)-

C8H6N2O

HCID53654775

未命名化合物

PRODUCTS

生成物

HCID3916227

2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile

C17H14N2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05bf107ffb0d477fa02bdc8e4d34ae20
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

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