HRID191762

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID28486

Lithium ion

Li+

结构：CCOC(=O)C(C)(C)n1cc(-c2ccc3c(c2)OCCn2cc(-c4ncnn4C(C)C)nc2-3)cn1

HCID58204918

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(-c3cnn(C(C)(C)C(=O)O)c3)cc1OCC2

HCID58204913

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9be8edd93413494ea9caa80ab88a0a7b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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