HRID89998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID28123

Tetrahydroborate

H4B-

结构：O=C1CCC(c2ccccc2)(c2ccccc2)C2C1CNC2C(=O)Cc1ccccc1

HCID67736934

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccccc1)C1NCC2C(O)CCC(c3ccccc3)(c3ccccc3)C12

HCID67811056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c11d6afd0b564074b8704ec0283db976
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

[BH4-:1].[CH3:37][OH:38].[Cl:39][CH2:40][Cl:41].[ClH:36].[Na+:2].[Na+:4].[OH-:3].[OH2:42].[c:5]1([C:11]2([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[CH2:12][CH2:13][C:14](=[O:29])[CH:15]3[CH2:16][NH:17][CH:18]([C:20]([CH2:21][c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)=[O:28])[CH:19]23)[cH:6][cH:7][cH:8][cH:9][cH:10]1>>[c:5]1([C:11]2([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[CH2:12][CH2:13][CH:14]([OH:29])[CH:15]3[CH2:16][NH:17][CH:18]([C:20]([CH2:21][c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)=[O:28])[CH:19]23)[cH:6][cH:7][cH:8][cH:9][cH:10]1