HRID100416

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID119440

1-Hydroxyethyl radical

C2H5O-

HCID139575

1H-Imidazole-2-carboxaldehyde, 1-methyl-

C5H6N2O

结构：CCOC(=O)c1c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1

HCID10580639

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(C=Cc2nccn2C)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1

HCID178468765

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dba35b9b53fc4499a4f82bda9bb96e54
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

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