HRID683642

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID77604

3-(4-Chlorobenzoyl)propionic acid

C10H9ClO3

HCID67393542

未命名化合物

PRODUCTS

生成物

结构：O=C(CCC(=O)c1ccc(Cl)cc1)NCC1CN(c2ccc(C3CNCCO3)c(F)c2)C(=O)O1

HCID20842783

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e8ea17cb1d447e9a86100ffad7bf284
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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