HRID99709

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID2734690

Sulfur, trifluoro[2-methoxy-N-(2-methoxyethyl)ethanaminato-.kappa.N]-, (T-4)-

C6H14F3NO2S

结构：COCC(OC)Oc1cc(Oc2cnc(S(C)(=O)=O)cn2)cc(-c2ccc(C(=O)NC(C(=O)OCc3ccccc3)C(C)O)[nH]2)c1

HCID178496319

未命名化合物

PRODUCTS

生成物

结构：COCC(OC)Oc1cc(Oc2cnc(S(C)(=O)=O)cn2)cc(-c2ccc(C3=NC(C(=O)OCc4ccccc4)C(C)O3)[nH]2)c1

HCID178496318

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-feba2b56849b452d97ddf9e83566fcda
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:60](=[O:61])([O-:62])[O-:63].[CH2:71]([Cl:72])[Cl:73].[CH3:1][O:2][CH2:3][CH:4]([O:5][c:6]1[cH:7][c:8](-[c:23]2[cH:24][cH:25][c:26]([C:28](=[O:29])[NH:30][CH:31]([CH:32]([OH:33])[CH3:34])[C:35](=[O:36])[O:37][CH2:38][c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[nH:27]2)[cH:9][c:10]([O:12][c:13]2[n:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[CH3:22])[n:17][cH:18]2)[cH:11]1)[O:45][CH3:46].[CH3:47][O:48][CH2:49][CH2:50][N:51]([S:52]([F:53])([F:54])[F:55])[CH2:56][CH2:57][O:58][CH3:59].[K+:64].[K+:65].[Na+:66].[OH:67][C:68](=[O:69])[O-:70]>>[CH3:1][O:2][CH2:3][CH:4]([O:5][c:6]1[cH:7][c:8](-[c:23]2[cH:24][cH:25][c:26]([C:28]3=[N:30][CH:31]([C:35](=[O:36])[O:37][CH2:38][c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[CH:32]([CH3:34])[O:33]3)[nH:27]2)[cH:9][c:10]([O:12][c:13]2[n:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[CH3:22])[n:17][cH:18]2)[cH:11]1)[O:45][CH3:46]