HRID1135592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID581796

4-Chloro-6-methylpyrimidine

C5H5ClN2

HCID86656699

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(N2CCC(Nc3nc4c(s3)CCCC4c3ccccc3)CC2)ncn1

HCID58397898

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9219514877ba4cd495e9c2911f82915e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[Cl:34][c:35]1[n:36][cH:37][n:38][c:39]([CH3:41])[cH:40]1.[ClH:1].[ClH:2].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH2:54].[c:3]1([CH:9]2[CH2:10][CH2:11][CH2:12][c:13]3[c:14]2[n:15][c:16]([NH:18][CH:19]2[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]2)[s:17]3)[cH:4][cH:5][cH:6][cH:7][cH:8]1>>[c:3]1([CH:9]2[CH2:10][CH2:11][CH2:12][c:13]3[c:14]2[n:15][c:16]([NH:18][CH:19]2[CH2:20][CH2:21][N:22]([c:35]4[n:36][cH:37][n:38][c:39]([CH3:41])[cH:40]4)[CH2:23][CH2:24]2)[s:17]3)[cH:4][cH:5][cH:6][cH:7][cH:8]1