HRID800242

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1146

Trimethylamine

C3H9N

HCID6342

Acetonitrile

C2H3N

HCID6395

Methanesulfonic acid

CH4O3S

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

HCID83350

4-(Dimethylamino)butan-1-ol

C6H15NO

结构：CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)O)cc1

HCID59590637

未命名化合物

PRODUCTS

生成物

结构：CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCN(C)C)cc1

HCID49779995

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0fb7de01253c44138ec51c121c9b66cd
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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