HRID140460

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C(=O)Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID11267141

未命名化合物

HCID23512569

未命名化合物

PRODUCTS

生成物

结构：CSc1ncc(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2ccccc2C)n1

HCID21712473

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc86378eb55d4886801c02cbd882a54a
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

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