HRID143919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID3866161

3-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C12H18BNO3

结构：O=C(c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(Br)c1)N1CCC(c2cccnc2)C1

HCID86657753

未命名化合物

PRODUCTS

生成物

结构：COc1cncc(-c2cc(C(=O)N3CCC(c4cccnc4)C3)ccc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

HCID86657752

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad217ee343114bf6a37039fdf6ffde74
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

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