HRID118051

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID81531

Diisopropylethylamine

C8H19N

HCID11092822

未命名化合物

HCID11665405

未命名化合物

PRODUCTS

产物

HCID178491420

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-20c9bc242b7c4f2193b1687a9720053e
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:50](#[N:51])[CH2:52][CH2:53][O:54][CH2:55][Cl:56].[C:57](=[O:58])([OH:59])[O-:60].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:7]([c:8]2[cH:9][cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]2)([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[O:22][CH2:23][CH:24]2[CH:25]([OH:38])[CH:26]([OH:37])[CH:27]([n:29]3[c:30](=[O:31])[nH:32][c:33](=[O:34])[cH:35][cH:36]3)[O:28]2)[cH:39][cH:40]1.[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49].[Cl:62][CH2:63][CH2:64][Cl:65].[Na+:61]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:7]([c:8]2[cH:9][cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]2)([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[O:22][CH2:23][CH:24]2[CH:25]([OH:38])[CH:26]([O:37][CH2:55][O:54][CH2:53][CH2:52][C:50]#[N:51])[CH:27]([n:29]3[c:30](=[O:31])[nH:32][c:33](=[O:34])[cH:35][cH:36]3)[O:28]2)[cH:39][cH:40]1