HRID1150366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID10442

1,3-Propanediol

C3H8O2

HCID19660

Carbonate

CO3-2

HCID2759867

(1-Methyl-1H-indol-5-yl)boronic acid

C9H10BNO2

HCID19426024

7-Iodo-1-phenyl-5-(trifluoromethyl)-1H-benzimidazole

C14H8F3IN2

PRODUCTS

生成物

结构：Cn1ccc2cc(-c3cc(C(F)(F)F)cc4ncn(-c5ccccc5)c34)ccc21

HCID11417922

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c118ff2ead23411da78bcf56b7d46046
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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