HRID814300

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID813

Potassium cation

K+

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID31374

Dimethylacetamide

C4H9NO

HCID79557

Methyl 5-bromovalerate

C6H11BrO2

HCID81531

Diisopropylethylamine

C8H19N

结构：NC1CCC(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)oc3ccccc23)CC1

HCID23062576

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCCCNC1CCC(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)oc3ccccc23)CC1

HCID23062556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a66863a6cd7948d78b2d0e8084713174
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:32][CH2:33][CH2:34][CH2:35][CH2:36][C:37](=[O:38])[O:39][CH3:40].[CH3:52][N:53]([CH3:54])[C:55](=[O:56])[CH3:57].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[ClH:1].[ClH:2].[I-:51].[K+:50].[NH2:3][CH:4]1[CH2:5][CH2:6][CH:7]([C:10](=[O:11])[NH:12][c:13]2[c:14]([C:22](=[O:23])[NH:24][c:25]3[n:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[o:15][c:16]3[c:17]2[cH:18][cH:19][cH:20][cH:21]3)[CH2:8][CH2:9]1>>[NH:3]([CH:4]1[CH2:5][CH2:6][CH:7]([C:10](=[O:11])[NH:12][c:13]2[c:14]([C:22](=[O:23])[NH:24][c:25]3[n:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[o:15][c:16]3[c:17]2[cH:18][cH:19][cH:20][cH:21]3)[CH2:8][CH2:9]1)[CH2:33][CH2:34][CH2:35][CH2:36][C:37](=[O:38])[O:39][CH3:40]