HRID2335346

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

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID11065484

5-{[(5-tert-Butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine

C11H15N3OS2

HCID16244013

1-Cyclopropylpiperidine-4-carboxylic acid

C9H15NO2

PRODUCTS

生成物

结构：CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(C4CC4)CC3)s2)o1

HCID10202335

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b4859bd4825480688c1ee7f6bfdf831
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH3:47][N:48]([CH3:49])[c:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1.[CH:30]1([N:33]2[CH2:34][CH2:35][CH:36]([C:39](=[O:40])[OH:41])[CH2:37][CH2:38]2)[CH2:31][CH2:32]1.[Cl:57][CH2:58][Cl:59].[ClH:1].[NH2:13][c:14]1[s:15][c:16]([S:19][CH2:20][c:21]2[o:22][c:23]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:24][n:25]2)[cH:17][n:18]1.[OH2:56]>>[NH:13]([c:14]1[s:15][c:16]([S:19][CH2:20][c:21]2[o:22][c:23]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:24][n:25]2)[cH:17][n:18]1)[C:39]([CH:36]1[CH2:35][CH2:34][N:33]([CH:30]2[CH2:31][CH2:32]2)[CH2:38][CH2:37]1)=[O:40]