HRID165890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID61277

Propane, 2-isocyanato-

C4H7NO

结构：CC1CN(C(=O)COc2ccc(Cl)cc2S(N)(=O)=O)C(C)CN1Cc1ccc(F)cc1

HCID21973400

未命名化合物

PRODUCTS

生成物

结构：CC(C)NC(=O)NS(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C

HCID77696399

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae91df6b100b4ef7a8e2b37d89b99f46
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

[CH:32]([CH3:33])([CH3:34])[N:35]=[C:36]=[O:37].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:12][CH2:13][C:14](=[O:15])[N:16]2[CH:17]([CH3:31])[CH2:18][N:19]([CH2:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH:20]([CH3:22])[CH2:21]2)[c:6]([S:8](=[O:9])(=[O:10])[NH2:11])[cH:7]1.[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:12][CH2:13][C:14](=[O:15])[N:16]2[CH:17]([CH3:31])[CH2:18][N:19]([CH2:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH:20]([CH3:22])[CH2:21]2)[c:6]([S:8](=[O:9])(=[O:10])[NH:11][C:36]([NH:35][CH:32]([CH3:33])[CH3:34])=[O:37])[cH:7]1