HRID1573013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCc1ccc(Nc2cc(C(C)(C)C)nn2-c2ccccc2C)c(C(=O)OC)c1

HCID58958598

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(Nc2cc(C(C)(C)C)nn2-c2ccccc2C)c(C(=O)O)c1

HCID58958583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a7ac439b8b2461fa91c5aa667d1963e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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