HRID144123

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID2783270

2-Fluoro-3-pyridylboronic acid

C5H5BFNO2

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(Cl)n2)cc1

HCID59548209

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cccnc3F)n2)cc1

HCID59548240

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-690e27584d234d06af2d23ecbf8a63b6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:2][C:3](=[O:4])[O-:5].[CH3:43][CH2:44][OH:45].[Cl:16][c:17]1[n:18][c:19]([N:24]([CH2:25][c:26]2[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]2)[CH2:34][c:35]2[cH:36][cH:37][c:38]([O:41][CH3:42])[cH:39][cH:40]2)[n:20][c:21]([CH3:23])[n:22]1.[Cl:46][CH2:47][Cl:48].[F:6][c:7]1[n:8][cH:9][cH:10][cH:11][c:12]1[B:13]([OH:14])[OH:15].[K+:1].[OH2:49]>>[F:6][c:7]1[n:8][cH:9][cH:10][cH:11][c:12]1-[c:17]1[n:18][c:19]([N:24]([CH2:25][c:26]2[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]2)[CH2:34][c:35]2[cH:36][cH:37][c:38]([O:41][CH3:42])[cH:39][cH:40]2)[n:20][c:21]([CH3:23])[n:22]1