HRID170907

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31374

Dimethylacetamide

C4H9NO

HCID68263

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

C7H6N4O

HCID82574

Acetic acid, (4-pyridinylthio)-

C7H7NO2S

HCID84468

Trifluoroacetate

C2F3O2-

结构：NC1C(=O)N2C(C(=O)O)=C(C=C3CCN(Cc4cc[n+](CC(=O)Nc5ccc(O)cc5)cc4)C3=O)CSC12

HCID178508094

未命名化合物

PRODUCTS

生成物

结构：O=C(C[n+]1ccc(CN2CCC(=CC3=C(C(=O)[O-])N4C(=O)C(NC(=O)CSc5ccncc5)C4SC3)C2=O)cc1)Nc1ccc(O)cc1

HCID178521192

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e24fa8c44a64097bc5f364a8327b8e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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].[CH3:69][N:70]([CH3:71])[C:72](=[O:73])[CH3:74].[F:24][C:25]([F:26])([F:27])[C:28]([O-:29])=[O:30].[NH2:31][CH:32]1[CH:33]2[S:34][CH2:35][C:36]([CH:44]=[C:45]3[C:46](=[O:68])[N:47]([CH2:50][c:51]4[cH:52][cH:53][n+:54]([CH2:57][C:58]([NH:59][c:60]5[cH:61][cH:62][c:63]([OH:66])[cH:64][cH:65]5)=[O:67])[cH:55][cH:56]4)[CH2:48][CH2:49]3)=[C:37]([C:41](=[O:42])[OH:43])[N:38]2[C:39]1=[O:40].[n:13]1[cH:14][cH:15][c:16]([S:19][CH2:20][C:21](=[O:22])[OH:23])[cH:17][cH:18]1>>[n:13]1[cH:14][cH:15][c:16]([S:19][CH2:20][C:21](=[O:23])[NH:31][CH:32]2[CH:33]3[S:34][CH2:35][C:36]([CH:44]=[C:45]4[C:46](=[O:68])[N:47]([CH2:50][c:51]5[cH:52][cH:53][n+:54]([CH2:57][C:58]([NH:59][c:60]6[cH:61][cH:62][c:63]([OH:66])[cH:64][cH:65]6)=[O:67])[cH:55][cH:56]5)[CH2:48][CH2:49]4)=[C:37]([C:41](=[O:42])[O-:43])[N:38]3[C:39]2=[O:40])[cH:17][cH:18]1