HRID197997

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID66728

Acetic acid, (2-naphthalenylthio)-

C12H10O2S

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

结构：NC1C(=O)N2C(C(=O)O)=C(C=C3CCN(CC4CC4)C3=O)CSC12

HCID178508091

未命名化合物

PRODUCTS

生成物

结构：O=C(CSc1ccc2ccccc2c1)NC1C(=O)N2C(C(=O)O)=C(C=C3CCN(CC4CC4)C3=O)CSC12

HCID72609878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46d3f912044a4d06882afadec568b020
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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