HRID2154620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID68023

4-Fluorobenzaldehyde

C7H5FO

HCID2724942

未命名化合物

结构：Oc1cc(CC(F)(F)F)c(-c2ccc3c(-c4nc5c([nH]4)CCNC5)n[nH]c3c2)cc1F

HCID178516038

2-fluoro-4-[3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-(2,2,2-trifluoro-ethyl)-phenol

C21H17F4N5O

PRODUCTS

生成物

结构：Oc1cc(CC(F)(F)F)c(-c2ccc3c(-c4nc5c([nH]4)CCN(Cc4ccc(F)cc4)C5)n[nH]c3c2)cc1F

HCID178516040

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa41aff86df3498e9639b6c59ed1b2ee
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

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