HRID213542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID8028

Tetrahydrofuran

C4H8O

HCID2734706

4-(Hydroxymethyl)phenylboronic acid

C7H9BO3

结构：O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2c(Br)c(-c3ccc(Cl)cc3)ncn12

HCID58772848

未命名化合物

PRODUCTS

生成物

结构：O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2c(-c3ccc(CO)cc3)c(-c3ccc(Cl)cc3)ncn12

HCID15953702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fafd58b768c94540b779c7427bcf0f3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[c:3]2[n:4]([cH:5][n:6][c:7]1-[c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[c:15](=[O:29])[n:16]([CH2:18][c:19]1[cH:20][n:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]1)[n:17]2.[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[K+:46].[K+:47].[K+:48].[OH:30][CH2:31][c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1.[P:41]([O-:42])([O-:43])([O-:44])=[O:45]>>[c:2]1(-[c:35]2[cH:34][cH:33][c:32]([CH2:31][OH:30])[cH:37][cH:36]2)[c:3]2[n:4]([cH:5][n:6][c:7]1-[c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[c:15](=[O:29])[n:16]([CH2:18][c:19]1[cH:20][n:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]1)[n:17]2