HRID187194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CCOC(=O)c1cn(Cc2ccccc2)nc1OCc1ccc(OCc2nc(-c3ccco3)oc2C)c(OCOC)c1

HCID69216074

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(Cc2ccccc2)nc1OCc1ccc(OCc2nc(-c3ccco3)oc2C)c(O)c1

HCID69215066

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f2c9f1565ec4079a9aeca153cecf94a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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