HRID1121898

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6342

Acetonitrile

C2H3N

HCID498716

未命名化合物

结构：CC(OCC1(c2ccc(F)cc2)CCNCC1)c1cc(Br)cc2cn[nH]c12

HCID57546134

未命名化合物

PRODUCTS

生成物

结构：CC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Br)cc2cn[nH]c12

HCID25160191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35efb839668f49fe87b5441dcfd475f2
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

[Br:1][c:2]1[cH:3][c:4]2[cH:5][n:6][nH:7][c:8]2[c:9]([CH:11]([CH3:12])[O:13][CH2:14][C:15]2([c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]2)[cH:10]1.[C:28]([BH3-:29])#[N:30].[CH2:36]([O:37][CH2:38][CH3:39])[CH3:40].[CH3:32][C:33](=[O:34])[OH:35].[CH3:42][C:43]#[N:44].[Na+:31].[OH2:41]>>[Br:1][c:2]1[cH:3][c:4]2[cH:5][n:6][nH:7][c:8]2[c:9]([CH:11]([CH3:12])[O:13][CH2:14][C:15]2([c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)[CH2:16][CH2:17][N:18]([CH3:28])[CH2:19][CH2:20]2)[cH:10]1