HRID1130397

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID18783904

1-(2-Methoxyethyl)piperazin-2-one

C7H14N2O2

HCID67090030

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COCCN1CCN(C(=O)c2ccc(C=Cc3n[nH]c4ccccc34)cc2)CC1=O

HCID67090695

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02e8f0eb75914c238a5a3a5f38e89cdc
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:55]([O:56][CH2:57][CH3:58])(=[O:59])[CH3:60].[CH2:22]([N:23]=[C:24]=[N:25][CH2:26][CH2:27][CH2:28][N:29]([CH3:30])[CH3:31])[CH3:32].[CH3:44][O:45][CH2:46][CH2:47][N:48]1[C:49](=[O:54])[CH2:50][NH:51][CH2:52][CH2:53]1.[ClH:21].[ClH:61].[OH2:33].[OH:34][n:35]1[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]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])[OH:18])[cH:19][cH:20]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[ClH:21].[nH:1]1[n:2][c:3]([CH:10]=[CH:11][c:12]2[cH:13][cH:14][c:15]([C:16](=[O:18])[N:51]3[CH2:50][C:49](=[O:54])[N:48]([CH2:47][CH2:46][O:45][CH3:44])[CH2:53][CH2:52]3)[cH:19][cH:20]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12