HRID320807

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)NCC(=O)OC1CCC(n2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

HCID22736434

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：NCC(=O)OC1CCC(n2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

HCID22736187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93f321cbe54b4016899e28793de08104
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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