HRID677068

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2768377

未命名化合物

HCID15922445

未命名化合物

PRODUCTS

生成物

结构：CC1SC(C(=O)Nc2ccc(CC3SC(=O)NC3=O)cc2)Cc2cc3c(cc2C1=O)OCO3

HCID9891491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c471e7aba5424ec798290c84ce85f33c
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

[CH2:1]1[O:2][c:3]2[cH:4][c:5]3[c:6]([cH:17][c:18]2[O:19]1)[CH2:7][CH:8]([C:14](=[O:15])[OH:16])[S:9][CH:10]([CH3:13])[C:11]3=[O:12].[CH2:36]([N:37]=[C:38]=[N:39][CH2:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45])[CH3:46].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH:62]([Cl:63])([Cl:64])[Cl:65].[ClH:35].[NH2:20][c:21]1[cH:22][cH:23][c:24]([CH2:25][CH:26]2[C:27](=[O:32])[NH:28][C:29](=[O:31])[S:30]2)[cH:33][cH:34]1.[OH:47][n:48]1[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH2:1]1[O:2][c:3]2[cH:4][c:5]3[c:6]([cH:17][c:18]2[O:19]1)[CH2:7][CH:8]([C:14](=[O:16])[NH:20][c:21]1[cH:22][cH:23][c:24]([CH2:25][CH:26]2[C:27](=[O:32])[NH:28][C:29](=[O:31])[S:30]2)[cH:33][cH:34]1)[S:9][CH:10]([CH3:13])[C:11]3=[O:12]