HRID184989

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID15669

3,3-Bis(trifluoromethyl)-2-propenoic acid

C5H2F6O2

结构：CC(C)Oc1cc(C(N)(Cc2ccccc2)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F

HCID72290861

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1cc(C(Cc2ccccc2)(NC(=O)C=C(C(F)(F)F)C(F)(F)F)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F

HCID74065112

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89c1e10c3853471ebf5041dcad7bb68b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:48][C:49]#[N:50].[F:1][c:2]1[c:3]([O:31][CH:32]([CH3:33])[CH3:34])[cH:4][c:5]([C:8]([CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([NH2:16])[c:17]2[cH:18][c:19]([F:30])[cH:20][c:21]([O:23][C:24]([CH:25]([F:26])[F:27])([F:28])[F:29])[cH:22]2)[cH:6][cH:7]1.[F:35][C:36]([C:37](=[CH:38][C:39](=[O:40])[OH:41])[C:42]([F:43])([F:44])[F:45])([F:46])[F:47]>>[F:1][c:2]1[c:3]([O:31][CH:32]([CH3:33])[CH3:34])[cH:4][c:5]([C:8]([CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([NH:16][C:39]([CH:38]=[C:37]([C:36]([F:35])([F:46])[F:47])[C:42]([F:43])([F:44])[F:45])=[O:40])[c:17]2[cH:18][c:19]([F:30])[cH:20][c:21]([O:23][C:24]([CH:25]([F:26])[F:27])([F:28])[F:29])[cH:22]2)[cH:6][cH:7]1