HRID153405

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID33050

1,2-Dichloro-3-isocyanatobenzene

C7H3Cl2NO

HCID58531377

未命名化合物

PRODUCTS

产物

HCID66616720

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a0afe64dc87a4d949d028aa1b42a889b
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

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