HRID1542405

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID12229

Hydrazinecarboxaldehyde

CH4N2O

HCID31275

1,4-Dioxane

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(C)(C)C(=O)O)s2)c1

HCID67248922

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(C)(C)C(=O)NNC=O)s2)c1

HCID67431912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6cb1d35afabc4508998cad13cf224221
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

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