HRID665094

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID18050

Methyl 3-mercaptopropionate

C4H8O2S

HCID11126302

Propanamide, 3-mercapto-N,N-dimethyl-

C5H11NOS

结构：COC(=O)CCSC(SCCC(=O)OC)c1cccc(C=Cc2nc(C(C)C)cs2)c1

HCID53642997

未命名化合物

结构：COC(=O)CCSC(SCCC(=O)N(C)C)c1cccc(C=Cc2nc(C(C)C)cs2)c1

HCID54570341

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1csc(C=Cc2cccc(C(SCCC(=O)N(C)C)SCCC(=O)N(C)C)c2)n1

HCID54463992

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e001fdb6e554459b930755f2d35274b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:16][CH:17]([c:18]1[n:19][c:20]([CH:21]=[CH:22][c:23]2[cH:24][c:25]([CH:26]([S:27][CH2:28][CH2:29][C:30]([O:31][CH3:32])=[O:33])[S:34][CH2:35][CH2:36][C:37]([O:38][CH3:39])=[O:40])[cH:41][cH:42][cH:43]2)[s:44][cH:45]1)[CH3:46].[CH3:47][N:48]([C:49]([CH2:50][CH2:51][S:52][CH:53]([c:54]1[cH:55][c:56]([CH:60]=[CH:61][c:62]2[s:63][cH:64][c:65]([CH:67]([CH3:68])[CH3:69])[n:66]2)[cH:57][cH:58][cH:59]1)[S:70][CH2:71][CH2:72][C:73]([O:74][CH3:75])=[O:76])=[O:77])[CH3:78].[Cl:79][CH2:80][Cl:81].[SH:1][CH2:2][CH2:3][C:4]([O:5][CH3:6])=[O:7].[SH:8][CH2:9][CH2:10][C:11](=[O:12])[N:13]([CH3:14])[CH3:15]>>[S:8]([CH2:9][CH2:10][C:11](=[O:12])[N:13]([CH3:14])[CH3:15])[CH:53]([S:52][CH2:51][CH2:50][C:49]([N:48]([CH3:47])[CH3:78])=[O:77])[c:54]1[cH:55][c:56]([CH:60]=[CH:61][c:62]2[s:63][cH:64][c:65]([CH:67]([CH3:68])[CH3:69])[n:66]2)[cH:57][cH:58][cH:59]1