HRID191674

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6367

Acetyl chloride

C2H3ClO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID15413

Methyl tert-butyl ether

C5H12O

结构：NCc1ccc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl

HCID45377779

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCc1ccc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl

HCID86652388

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d69822acc6a4944bb21b0ea170d97d8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:43]([O:44][CH3:45])([CH3:46])([CH3:47])[CH3:48].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:34][C:35]([Cl:36])=[O:37].[Cl:1][c:2]1[c:3]([CH2:25][NH2:26])[cH:4][cH:5][c:6]([N:8]2[CH2:9][C:10]([C:13]([F:14])([F:15])[F:16])([c:17]3[cH:18][c:19]([Cl:24])[cH:20][c:21]([Cl:23])[cH:22]3)[CH2:11][CH2:12]2)[cH:7]1.[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1>>[Cl:1][c:2]1[c:3]([CH2:25][NH:26][C:35]([CH3:34])=[O:37])[cH:4][cH:5][c:6]([N:8]2[CH2:9][C:10]([C:13]([F:14])([F:15])[F:16])([c:17]3[cH:18][c:19]([Cl:24])[cH:20][c:21]([Cl:23])[cH:22]3)[CH2:11][CH2:12]2)[cH:7]1