HRID1227471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID66853

Benzenemethanamine, 3-fluoro-

C7H8FN

结构：CC(C)(C)OC(=O)N1CCC(Nc2cc(-c3cccc(F)n3)c(Cl)cn2)CC1

HCID66936941

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1

HCID66936988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff88862f91b5455a90227d06cc0a3cbc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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