HRID1212771

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID2782166

Methyl 5,6-Dichloronicotinate

C7H5Cl2NO2

结构：CC(C)(C)OC(=O)N(CCc1ccc(O)cc1)CC(O)c1cccc(Cl)c1

HCID178453298

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cnc(Oc2ccc(CCN(CC(O)c3cccc(Cl)c3)C(=O)OC(C)(C)C)cc2)c(Cl)c1

HCID178498841

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e9642fa703847119fb511ce2bf90f18
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

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