HRID950282

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：Cn1nc(Cl)cc(Nc2ccc(N3CCC(C)(O)CC3)cn2)c1=O

HCID66742932

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCc1c(-c2cc(Nc3ccc(N4CCC(C)(O)CC4)cn3)c(=O)n(C)n2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O

HCID66742797

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3394abd3f7ee47b29f1f3f2c7d0bc377
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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