HRID688964

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID66042

Benzonitrile, 4-formyl-

C8H5NO

HCID2724942

未命名化合物

HCID10656920

Methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate

C11H13NO2

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(c1)CN(Cc1ccc(C#N)cc1)CC2

HCID66897392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-168b8e29ebc94210a0078da0fb110744
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[C:30](#[N:31])[c:32]1[cH:33][cH:34][c:35]([CH:36]=[O:37])[cH:38][cH:39]1.[C:40](=[O:41])([OH:42])[O-:43].[CH2:16]1[NH:17][CH2:18][CH2:19][c:20]2[cH:21][cH:22][c:23]([C:26](=[O:27])[O:28][CH3:29])[cH:24][c:25]21.[CH2:48]([O:49][CH2:50][CH3:51])[CH3:52].[Cl:45][CH2:46][Cl:47].[ClH:15].[Na+:14].[Na+:44]>>[CH2:16]1[N:17]([CH2:36][c:35]2[cH:34][cH:33][c:32]([C:30]#[N:31])[cH:39][cH:38]2)[CH2:18][CH2:19][c:20]2[cH:21][cH:22][c:23]([C:26](=[O:27])[O:28][CH3:29])[cH:24][c:25]21