HRID675291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O

HCID59473769

未命名化合物

结构：CN1CC2CCC(C1)N2c1ccc(Nc2cc(Cl)nn(C)c2=O)nc1

HCID68062498

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCc1c(-c2cc(Nc3ccc(N4C5CCC4CN(C)C5)cn3)c(=O)n(C)n2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O

HCID66742884

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88ae348d604640199da1988d0e42759a
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

[C:26]([CH3:27])(=[O:28])[O:29][CH2:30][c:31]1[c:32](-[n:46]2[c:47](=[O:61])[c:48]3[c:49]([F:60])[cH:50][c:51]([C:56]([CH3:57])([CH3:58])[CH3:59])[cH:52][c:53]3[cH:54][n:55]2)[cH:33][cH:34][cH:35][c:36]1[B:37]1[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]1.[Cl:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([N:17]3[CH:18]4[CH2:19][N:20]([CH3:25])[CH2:21][CH:22]3[CH2:23][CH2:24]4)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[n:7]1.[K+:67].[K+:68].[K+:69].[O:71]1[CH2:72][CH2:73][O:74][CH2:75][CH2:76]1.[OH2:70].[P:62]([O-:63])([O-:64])([O-:65])=[O:66]>>[c:2]1(-[c:36]2[c:31]([CH2:30][O:29][C:26]([CH3:27])=[O:28])[c:32](-[n:46]3[c:47](=[O:61])[c:48]4[c:49]([F:60])[cH:50][c:51]([C:56]([CH3:57])([CH3:58])[CH3:59])[cH:52][c:53]4[cH:54][n:55]3)[cH:33][cH:34][cH:35]2)[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([N:17]3[CH:18]4[CH2:19][N:20]([CH3:25])[CH2:21][CH:22]3[CH2:23][CH2:24]4)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[n:7]1