HRID282207

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID4837

Piperazine

C4H10N2

HCID6344

Dichloromethane

CH2Cl2

结构：COC(=O)c1ccc(F)cc1Oc1cnc(NC(=O)OC(C)(C)C)c(F)c1

HCID67226334

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(N2CCNCC2)cc1Oc1cnc(NC(=O)OC(C)(C)C)c(F)c1

HCID67226114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d892b1757c74809bf1f514e40bb1a39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([F:27])[cH:11][c:12]([O:15][c:16]2[c:17]([C:18](=[O:19])[O:20][CH3:21])[cH:22][cH:23][c:24]([F:26])[cH:25]2)[cH:13][n:14]1.[CH2:28]1[CH2:29][NH:30][CH2:31][CH2:32][NH:33]1.[CH3:37][S:38]([CH3:39])=[O:40].[Cl:34][CH2:35][Cl:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([F:27])[cH:11][c:12]([O:15][c:16]2[c:17]([C:18](=[O:19])[O:20][CH3:21])[cH:22][cH:23][c:24]([N:30]3[CH2:29][CH2:28][NH:33][CH2:32][CH2:31]3)[cH:25]2)[cH:13][n:14]1