HRID295309

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID14505483

未命名化合物

结构：CCOc1nc(CC)c(CN)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1F

HCID51041337

未命名化合物

PRODUCTS

生成物

结构：CCOc1nc(CC)c(CNC(=O)C(CC(C)C)SC(C)=O)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1F

HCID87199128

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd965325284d409c8c1b2f84787b0971
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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