HRID141170

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID737487

methyl 6-aminonicotinate

C7H8N2O2

结构：CS(=O)(=O)c1ccc(C(CC2CCCCO2)C(=O)O)cc1C(F)(F)F

HCID21958991

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(NC(=O)C(CC2CCCCO2)c2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)nc1

HCID10029454

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c848827fec784a94a7275faf4082317a
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

[CH2:51]([Cl:52])[Cl:53].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[c:6]([C:22]([F:23])([F:24])[F:25])[cH:7][c:8]([CH:11]([C:12](=[O:13])[OH:14])[CH2:15][CH:16]2[O:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:9][cH:10]1.[CH3:32][O:33][C:34]([c:35]1[cH:36][n:37][c:38]([NH2:41])[cH:39][cH:40]1)=[O:42].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[Cl:26][C:27]([C:28]([Cl:29])=[O:30])=[O:31].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH2:59].[n:43]1[c:44]([CH3:45])[cH:46][cH:47][cH:48][c:49]1[CH3:50]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[c:6]([C:22]([F:23])([F:24])[F:25])[cH:7][c:8]([CH:11]([C:12](=[O:14])[NH:41][c:38]2[n:37][cH:36][c:35]([C:34]([O:33][CH3:32])=[O:42])[cH:40][cH:39]2)[CH2:15][CH:16]2[O:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:9][cH:10]1