HRID1132677

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID24841

Hydrogen iodide

HCID21914614

2-tert-Butoxyethan-1-amine

C6H15NO

结构：Nc1ccc2c(c1)C(NC(=O)c1ccc(-c3ccccc3)cc1)C(O)C2

HCID69223853

未命名化合物

HCID86607042

未命名化合物

PRODUCTS

生成物

结构：CC(=Nc1ccc2c(c1)C(NC(=O)c1ccc(-c3ccccc3)cc1)C(O)C2)N(C)CCOC(C)(C)C

HCID44216179

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1246201557354bb2957653d7c3035809
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

[C:16]([O:17][CH2:18][CH2:19][NH2:20])([CH3:21])([CH3:22])[CH3:23].[C:2]([CH3:3])([CH3:4])([CH3:5])[O:6][CH2:7][CH2:8][N:9]([CH:10]([CH3:11])[S:12][CH3:13])[CH3:14].[ClH:15].[IH:1].[NH2:24][c:25]1[cH:26][cH:27][c:28]2[c:32]([cH:33]1)[CH:31]([NH:34][C:35](=[O:36])[c:37]1[cH:38][cH:39][c:40](-[c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[cH:41][cH:42]1)[CH:30]([OH:49])[CH2:29]2.[cH:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1>>[C:2]([CH3:3])([CH3:4])([CH3:5])[O:6][CH2:7][CH2:8][N:9]([C:10]([CH3:11])=[N:24][c:25]1[cH:26][cH:27][c:28]2[c:32]([cH:33]1)[CH:31]([NH:34][C:35](=[O:36])[c:37]1[cH:38][cH:39][c:40](-[c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[cH:41][cH:42]1)[CH:30]([OH:49])[CH2:29]2)[CH3:14]