HRID1544255

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID5200320

tetrahydro-2H-pyran-3-amine

C5H11NO

HCID59351351

未命名化合物

PRODUCTS

生成物

结构：c1ccc2sc(Nc3ccc(Oc4nccnc4NC4CCCOC4)cc3)nc2c1

HCID46208829

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08ba4e33bbec4b9b90f52aaf5ad294c0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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