HRID92589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

4 次

HCID6598

Dimethylcarbamoyl chloride

C3H6ClNO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID9257

1H-1,2,4-Triazole

C2H3N3

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID178504120

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)n1nc(C(C)(C)C)nc1[SH](C)c1ccccn1

HCID178484675

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b098ef58dd242b8a350a213f2175957
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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