HRID133942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7841

Allyl bromide

C3H5Br

HCID8028

Tetrahydrofuran

C4H8O

结构：COc1ccc(-c2n[nH]c3c(C(F)(F)F)cccc23)c(OC)c1

HCID178489136

未命名化合物

PRODUCTS

生成物

结构：C=CCn1nc(-c2ccc(OC)cc2OC)c2cccc(C(F)(F)F)c21

HCID11660520

3-(2,4-Dimethoxyphenyl)-1-(prop-2-en-1-yl)-7-(trifluoromethyl)-1H-indazole

C19H17F3N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e15563fa6aa247159d2acdf655167f16
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

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