HRID1239939

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID1084

Thiosulfate(2-)

O3S2-2

HCID6344

Dichloromethane

CH2Cl2

HCID9845

Trifluoroacetic anhydride

C4F6O3

结构：COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OC1CCCC1

HCID24849380

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(Nc3c(Cl)cncc3Cl)c(O)c(=O)oc2c1OC1CCCC1

HCID24849381

8-(cyclopentyloxy)-4-(3,5-dichloropyridin-4-ylamino)-3-hydroxy-7-methoxy-2H-chromen-2-one

C20H18Cl2N2O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e366855b080c40aa84cf3c3f0e3c2fb3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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