HRID1233415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1084

Thiosulfate(2-)

O3S2-2

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

结构：CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(-c2ccc(OC(C)(C)C(C)O)cc2)c2ncnn12

HCID136063887

未命名化合物

PRODUCTS

生成物

HCID136063773

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-360aa90a7f48435fb56c2e4922ff5490
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

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