HRID1567098

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：CNCCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1

HCID24816291

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1

HCID24816293

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c0542b19a824728bd2e8d029fcea8da
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

[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][c:7](-[c:11]2[cH:12][c:13]3[c:14]([n:15][cH:16][cH:17][c:18]3-[c:19]3[c:20](-[c:28]4[cH:29][cH:30][c:31]([NH:34][C:35]([N:36]([CH3:37])[CH3:38])=[O:39])[cH:32][cH:33]4)[n:21][n:22]([CH2:24][CH2:25][NH:26][CH3:27])[cH:23]3)[nH:40]2)[cH:8][cH:9][cH:10]1.[CH3:44][OH:45].[Na+:42].[OH-:41].[OH2:43]>>[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][c:7](-[c:11]2[cH:12][c:13]3[c:14]([n:15][cH:16][cH:17][c:18]3-[c:19]3[c:20](-[c:28]4[cH:29][cH:30][c:31]([NH:34][C:35]([N:36]([CH3:37])[CH3:38])=[O:39])[cH:32][cH:33]4)[n:21][n:22]([CH2:24][CH2:25][N:26]([CH3:27])[CH3:44])[cH:23]3)[nH:40]2)[cH:8][cH:9][cH:10]1