HRID99018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID585995

1-Chloro-2-ethynylbenzene

C8H5Cl

结构：O=Cc1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Cl

HCID86601211

未命名化合物

HCID178477777

未命名化合物

PRODUCTS

生成物

结构：OC(C#Cc1ccccc1Cl)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Cl

HCID21087776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60b1c03ca63141ce808e1e76808a6e44
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br-:40].[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH3:41][Mg+:42].[Cl:1][c:2]1[c:3]([C:8]#[CH:9])[cH:4][cH:5][cH:6][cH:7]1.[ClH:34].[F:10][C:11]([c:12]1[cH:13][c:14]([CH2:15][n:16]2[n:17][n:18][c:19]([CH:22]=[O:23])[c:20]2[Cl:21])[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1)([F:31])[F:32].[OH2:33]>>[Cl:1][c:2]1[c:3]([C:8]#[C:9][CH:22]([c:19]2[n:18][n:17][n:16]([CH2:15][c:14]3[cH:13][c:12]([C:11]([F:10])([F:31])[F:32])[cH:26][c:25]([C:27]([F:28])([F:29])[F:30])[cH:24]3)[c:20]2[Cl:21])[OH:23])[cH:4][cH:5][cH:6][cH:7]1