HRID1228403

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11379

2-Quinolinamine

C9H8N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID30165

Iodide ion

I-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：COC(=O)CCc1cc(C)c(-c2cc3ccc(C(=O)O)cc3[nH]2)c(C)c1

HCID66966205

未命名化合物

HCID178456401

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCc1cc(C)c(-c2cc3ccc(C(=O)Nc4ccc5ccccc5n4)cc3[nH]2)c(C)c1

HCID66965694

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e18b8a3852a54fa8abdcf978069b1f6a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][c:7]1[cH:8][c:9]([CH3:26])[c:10](-[c:14]2[nH:15][c:16]3[cH:17][c:18]([C:23](=[O:24])[OH:25])[cH:19][cH:20][c:21]3[cH:22]2)[c:11]([CH3:13])[cH:12]1.[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[CH3:60][NH+:61]1[CH2:62][CH2:63][N:64]([CH2:65][CH2:66][CH3:67])[CH2:68]1.[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[I-:59].[NH2:27][c:28]1[n:29][c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[cH:36][cH:37]1.[OH:49][n:50]1[c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[n:57][n:58]1>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][c:7]1[cH:8][c:9]([CH3:26])[c:10](-[c:14]2[nH:15][c:16]3[cH:17][c:18]([C:23](=[O:25])[NH:27][c:28]4[n:29][c:30]5[cH:31][cH:32][cH:33][cH:34][c:35]5[cH:36][cH:37]4)[cH:19][cH:20][c:21]3[cH:22]2)[c:11]([CH3:13])[cH:12]1