HRID126581

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1100

Sulfurous acid

H2O3S

HCID28486

Lithium ion

Li+

HCID10197622

2-(Dimethylamino)acetaldehyde

C4H9NO

结构：CCOP(=O)(CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1)OCC

HCID21103241

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1

HCID53445376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b02962ce5934dd0a9f92268f59a0330
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

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