HRID101950

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID312183

4-Boronobenzoic acid

C7H7BO4

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(Br)c4c3C(=O)N(C)C4)n2)c(OC)c1)OCC

HCID58293036

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(-c4ccc(C(=O)O)cc4)c4c3C(=O)N(C)C4)n2)c(OC)c1)OCC

HCID58292916

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3b44462916a4a1fab39cf42744163b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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