HRID107253

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：COC(=O)C(C)(C)c1ccc(N2C(=O)N(Cc3ccnc(Nc4cccnc4)c3)C(C)(C)C2=O)cc1

HCID57626005

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C(=O)O)c1ccc(N2C(=O)N(Cc3ccnc(Nc4cccnc4)c3)C(C)(C)C2=O)cc1

HCID57625974

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2189fd6285740108806eb7550c541e1
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

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