HRID184605

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID7972

4-Methylmorpholine

C5H11NO

HCID12301

Ethoxyacetic acid

C4H8O3

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(c1ccc(C=Cc2n[nH]c3ccccc23)cc1)N1CCNCC1

HCID67089852

未命名化合物

PRODUCTS

生成物

结构：CCOCC(=O)N1CCN(C(=O)c2ccc(C=Cc3n[nH]c4ccccc34)cc2)CC1

HCID67089619

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ddd8c5493d248dea3ca488802a20168
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

[CH2:34]([N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43])[CH3:44].[CH2:56]([CH3:57])[O:58][CH2:59][C:60](=[O:61])[OH:62].[CH3:26][N:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1.[ClH:33].[OH2:45].[OH:46][n:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1.[nH:1]1[n:2][c:3]([CH:10]=[CH:11][c:12]2[cH:13][cH:14][c:15]([C:16](=[O:17])[N:18]3[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]3)[cH:24][cH:25]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[n:2][c:3]([CH:10]=[CH:11][c:12]2[cH:13][cH:14][c:15]([C:16](=[O:17])[N:18]3[CH2:19][CH2:20][N:21]([C:60]([CH2:59][O:58][CH2:56][CH3:57])=[O:61])[CH2:22][CH2:23]3)[cH:24][cH:25]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12