HRID101637

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID166653

Hydride

H-

HCID2734626

2,4-Dimethoxybenzenesulfonyl chloride

C8H9ClO4S

结构：CN(C)C(=O)C1CC(F)CN1C1(c2cccc3c2OCO3)C(=O)Nc2ccc(Cl)cc21

HCID178484470

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)N2C(=O)C(c3cccc4c3OCO4)(N3CC(F)CC3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1

HCID178492834

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b466e06283794f27bad0c35433180410
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:48](=[O:49])([O-:50])[O-:51].[CH3:34][O:35][c:36]1[c:37]([S:44](=[O:45])(=[O:46])[Cl:47])[cH:38][cH:39][c:40]([O:42][CH3:43])[cH:41]1.[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[H-:32].[K+:52].[K+:53].[Na+:33].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][c:9]2[C:10]1([N:21]2[CH:22]([C:23](=[O:24])[N:25]([CH3:26])[CH3:27])[CH2:28][CH:29]([F:31])[CH2:30]2)[C:11](=[O:20])[NH:12][c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][c:18]21.[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][c:9]2[C:10]1([N:21]2[CH:22]([C:23](=[O:24])[N:25]([CH3:26])[CH3:27])[CH2:28][CH:29]([F:31])[CH2:30]2)[C:11](=[O:20])[N:12]([S:44]([c:37]2[c:36]([O:35][CH3:34])[cH:41][c:40]([O:42][CH3:43])[cH:39][cH:38]2)(=[O:45])=[O:46])[c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][c:18]21