HRID282345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID847717

8-methyl-4-oxo-4H-chromene-2-carboxylic acid

C11H8O4

HCID2768377

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc2c(=O)cc(C(=O)Nc3ccc(CC4SC(=O)NC4=O)cc3)oc12

HCID18546073

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b6bd782a640446a8f6d54d63e753755
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:32]([N:33]=[C:34]=[N:35][CH2:36][CH2:37][CH2:38][N:39]([CH3:40])[CH3:41])[CH3:42].[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7](=[O:15])[cH:8][c:9]([C:12](=[O:13])[OH:14])[o:10][c:11]12.[ClH:31].[NH2:16][c:17]1[cH:18][cH:19][c:20]([CH2:21][CH:22]2[C:23](=[O:28])[NH:24][C:25](=[O:27])[S:26]2)[cH:29][cH:30]1.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:58].[OH:43][n:44]1[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7](=[O:15])[cH:8][c:9]([C:12](=[O:14])[NH:16][c:17]3[cH:18][cH:19][c:20]([CH2:21][CH:22]4[C:23](=[O:28])[NH:24][C:25](=[O:27])[S:26]4)[cH:29][cH:30]3)[o:10][c:11]12