HRID85771

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

HCID11665405

未命名化合物

HCID14216921

未命名化合物

PRODUCTS

产物

HCID178491416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e833601cdad245fe81961fce54ac3ff2
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:1]([CH3:2])(=[O:3])[NH:4][c:5]1[n:6][c:7](=[O:43])[n:8]([CH:9]2[CH:10]([OH:11])[CH:12]([OH:13])[CH:14]([CH2:15][O:16][C:17]([c:18]3[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]3)([c:26]3[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]3)[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[O:40]2)[cH:41][cH:42]1.[C:53](#[N:54])[CH2:55][CH2:56][O:57][CH2:58][Cl:59].[C:60](=[O:61])([OH:62])[O-:63].[CH:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH2:49][CH3:50])([CH3:51])[CH3:52].[Cl:65][CH2:66][CH2:67][Cl:68].[Na+:64]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[n:6][c:7](=[O:43])[n:8]([CH:9]2[CH:10]([O:11][CH2:58][O:57][CH2:56][CH2:55][C:53]#[N:54])[CH:12]([OH:13])[CH:14]([CH2:15][O:16][C:17]([c:18]3[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]3)([c:26]3[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]3)[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[O:40]2)[cH:41][cH:42]1