HRID1219678

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11474

Piconol

C6H7NO

HCID28486

Lithium ion

Li+

HCID3280088

未命名化合物

结构：Clc1nn2c(-c3ccccc3)nnc2cc1C12CCC(CC1)C2

HCID53879255

未命名化合物

PRODUCTS

生成物

结构：c1ccc(-c2nnc3cc(C45CCC(CC4)C5)c(OCc4ccccn4)nn23)cc1

HCID9887070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa336f6c72ed4182bc6077deed393807
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]12([c:8]3[cH:9][c:10]4[n:11]([n:12][c:13]3[Cl:14])[c:15](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[n:16][n:17]4)[CH2:2][CH2:3][CH:4]([CH2:5][CH2:6]1)[CH2:7]2.[CH3:32][Si:33]([N-:34][Si:35]([CH3:36])([CH3:37])[CH3:38])([CH3:39])[CH3:40].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[CH3:48][S:49]([CH3:50])=[O:51].[Li+:41].[OH2:42].[n:24]1[c:25]([CH2:30][OH:31])[cH:26][cH:27][cH:28][cH:29]1>>[C:1]12([c:8]3[cH:9][c:10]4[n:11]([n:12][c:13]3[O:31][CH2:30][c:25]3[n:24][cH:29][cH:28][cH:27][cH:26]3)[c:15](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[n:16][n:17]4)[CH2:2][CH2:3][CH:4]([CH2:5][CH2:6]1)[CH2:7]2