HRID1560977

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

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID20316283

未命名化合物

结构：O=C(O)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)C2CC2)cc1

HCID59610032

未命名化合物

PRODUCTS

生成物

结构：COc1cnc(NC(=O)C(Oc2ccc(F)cc2F)c2ccc(S(=O)(=O)C3CC3)cc2)s1

HCID59610065

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80d3706b8b404d699763bbd6734c15d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:26][O:27][c:28]1[cH:29][n:30][c:31]([NH2:33])[s:32]1.[CH3:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH2:50][CH2:51][N:52]([CH3:53])[CH3:54].[CH3:55][N:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1.[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([C:14](=[O:15])[OH:16])[O:17][c:18]3[c:19]([F:25])[cH:20][c:21]([F:24])[cH:22][cH:23]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1.[Cl:68][CH2:69][Cl:70].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:67].[OH:34][n:35]1[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[n:42][n:43]1>>[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([C:14](=[O:15])[NH:33][c:31]3[n:30][cH:29][c:28]([O:27][CH3:26])[s:32]3)[O:17][c:18]3[c:19]([F:25])[cH:20][c:21]([F:24])[cH:22][cH:23]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1