HRID811323

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID21093511

2-(2-Phenylethyl)piperazine

C12H18N2

HCID21093524

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(c1)Nc1ccccc1N=C2N1CCNC(CCc2ccccc2)C1

HCID178422548

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a76ced5c6d09409faf4010142d12bbc9
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:19]([CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[CH:27]1[NH:28][CH2:29][CH2:30][NH:31][CH2:32]1.[CH3:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:18]1)[NH:8][c:9]1[c:10]([cH:14][cH:15][cH:16][cH:17]1)[N:11]=[C:12]2[NH2:13].[CH3:42][S:43]([CH3:44])=[O:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[ClH:1]>>[CH3:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:18]1)[NH:8][c:9]1[c:10]([cH:14][cH:15][cH:16][cH:17]1)[N:11]=[C:12]2[N:13]1[CH2:30][CH2:29][NH:28][CH:27]([CH2:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:32]1