HRID2334693

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：COCC1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CC#N)nc32)C(O)C1O

HCID18348462

未命名化合物

PRODUCTS

生成物

结构：COCC1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CC(=O)O)nc32)C(O)C1O

HCID18348387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f393fb20fbdb482993e34894c52f09ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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