HRID1211322

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID947

Nitrogen

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

结构：CC(C)(C)OC(=O)NC1Cc2cc(Br)ccc2N(Cc2ccccc2)C1

HCID59297053

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1Cc2cc(-c3ccc(F)cc3)ccc2N(Cc2ccccc2)C1

HCID59297041

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dec74b877cda4f6eac00e7af7e6cda99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][N:10]([CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:11]2[cH:12][cH:13][c:14]([Br:18])[cH:15][c:16]2[CH2:17]1)=[O:26].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:45][OH:46].[F:27][c:28]1[cH:29][cH:30][c:31]([B:34]([OH:35])[OH:36])[cH:32][cH:33]1.[K+:37].[K+:38].[N:43]#[N:44].[O-:39][C:40]([O-:41])=[O:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][N:10]([CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:11]2[cH:12][cH:13][c:14](-[c:31]3[cH:30][cH:29][c:28]([F:27])[cH:33][cH:32]3)[cH:15][c:16]2[CH2:17]1)=[O:26]