HRID671211

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

结构：CCOC(=O)c1cn(C)c2cnc3cc(F)c(F)cc3c2c1=O

HCID18523355

未命名化合物

HCID18523404

2-(3,4-Dimethylphenyl)piperazine

C12H18N2

PRODUCTS

生成物

结构：CCOC(=O)c1cn(C)c2cnc3cc(F)c(N4CCNC(c5ccc(C)c(C)c5)C4)cc3c2c1=O

HCID18523411

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4097ddd0a7454101bc48d512e2c23128
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:24][c:25]1[cH:26][c:27]([CH:32]2[NH:33][CH2:34][CH2:35][NH:36][CH2:37]2)[cH:28][cH:29][c:30]1[CH3:31].[CH3:39][S:40](=[O:41])[CH3:42].[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]3[c:7](=[O:20])[c:8]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:9][n:10]([CH3:14])[c:11]3[cH:12][n:13]2)[cH:21][c:22]1[F:23].[OH2:38]>>[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]3[c:7](=[O:20])[c:8]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:9][n:10]([CH3:14])[c:11]3[cH:12][n:13]2)[cH:21][c:22]1[N:36]1[CH2:35][CH2:34][NH:33][CH:32]([c:27]2[cH:26][c:25]([CH3:24])[c:30]([CH3:31])[cH:29][cH:28]2)[CH2:37]1