HRID942347

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID31260

Isopentyl alcohol

C5H12O

HCID76310

2-Aminoindane

C9H11N

HCID81531

Diisopropylethylamine

C8H19N

HCID235481

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(NC2Cc3ccccc3C2)nc2c1ncn2C1OC(CO)C(O)C1O

HCID178508664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-724c1d64fea44416963cb20d7dc5739d
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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