HRID306338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID18977245

2,6-Diaminopyridine-3-carboxylic acid

C6H7N3O2

HCID23130661

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc(C(=O)NCc2ccc(OCc3ccccc3)s2)c(N)n1

HCID23130447

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd3f308f122e449a87c6e7ad79de2080
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

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