HRID2149401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID8084

N,N,N',N'-Tetramethyltrimethylenediamine

C7H18N2

HCID13046

2-Mesitylenesulfonyl chloride

C9H11ClO2S

HCID178433372

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(S(=O)(=O)Oc2nc(N)nc(C)c2Cc2ccc(CC#N)cc2)c(C)c1

HCID86633409

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d15b5083e424b779924aded9d838b95
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:1][N:2]([CH3:3])[CH2:4][CH2:5][CH2:6][N:7]([CH3:8])[CH3:9].[CH3:29][c:30]1[c:31]([S:38](=[O:39])(=[O:40])[Cl:41])[c:32]([CH3:37])[cH:33][c:34]([CH3:36])[cH:35]1.[CH3:49][C:50]#[N:51].[ClH:42].[NH2:10][c:11]1[n:12][c:13]([CH3:28])[c:14]([CH2:18][c:19]2[cH:20][cH:21][c:22]([CH2:25][C:26]#[N:27])[cH:23][cH:24]2)[c:15]([OH:17])[n:16]1.[OH2:48]>>[NH2:10][c:11]1[n:12][c:13]([CH3:28])[c:14]([CH2:18][c:19]2[cH:20][cH:21][c:22]([CH2:25][C:26]#[N:27])[cH:23][cH:24]2)[c:15]([O:17][S:38]([c:31]2[c:30]([CH3:29])[cH:35][c:34]([CH3:36])[cH:33][c:32]2[CH3:37])(=[O:39])=[O:40])[n:16]1