HRID158579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CN(C)c1ccc(C(=CC2CCCC2)c2cc3cccnc3n2S(=O)(=O)c2ccccc2)cc1

HCID67228512

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1ccc(C(=CC2CCCC2)c2cc3cccnc3[nH]2)cc1

HCID67227940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b46269b07d864c25baacca52a61f3ee6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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