HRID2158238

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID16083

2,4-dichloro-6-methyl-1,3,5-triazine

C4H3Cl2N3

HCID31275

1,4-Dioxane

C4H8O2

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

HCID59548209

未命名化合物

HCID66600312

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3ccc(-c4cccnc4)nc3F)n2)cc1

HCID66611426

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c2c172dba7e48328a2d38acd683d61f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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