HRID1128176

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID28123

Tetrahydroborate

H4B-

HCID103931

Selenocyanic acid, 2-nitrophenyl ester

C7H4N2O2Se

结构：O=C1Nc2ccc(Cl)cc2C(C#CC2CC2)(C(F)(F)F)OC1CCBr

HCID18387374

未命名化合物

PRODUCTS

生成物

结构：C=CC1OC(C#CC2CC2)(C(F)(F)F)c2cc(Cl)ccc2NC1=O

HCID178438128

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82c390351ccb4593ad55dfff77066b0a
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

[BH4-:13].[Br:15][CH2:16][CH2:17][CH:18]1[C:19](=[O:39])[NH:20][c:21]2[c:22]([cH:34][c:35]([Cl:38])[cH:36][cH:37]2)[C:23]([C:25]([F:26])([F:27])[F:28])([C:29]#[C:30][CH:31]2[CH2:32][CH2:33]2)[O:24]1.[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:45][CH2:46][OH:47].[N+:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[Se:8][C:9]#[N:10])([O-:11])=[O:12].[Na+:14]>>[CH2:16]=[CH:17][CH:18]1[C:19](=[O:39])[NH:20][c:21]2[c:22]([cH:34][c:35]([Cl:38])[cH:36][cH:37]2)[C:23]([C:25]([F:26])([F:27])[F:28])([C:29]#[C:30][CH:31]2[CH2:32][CH2:33]2)[O:24]1