HRID101747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID82408

Isopropyl sulfonyl chloride

C3H7ClO2S

结构：NCCc1nccn1CCCCc1ccc(OCc2coc(C=Cc3ccc(C(F)(F)F)cc3)n2)cc1

HCID69554270

未命名化合物

PRODUCTS

生成物

结构：CC(C)S(=O)(=O)NCCc1nccn1CCCCc1ccc(OCc2coc(C=Cc3ccc(C(F)(F)F)cc3)n2)cc1

HCID69554711

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-530b0acaeb14433fb517a851452ecc17
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:38][CH:39]([CH3:40])[S:41](=[O:42])(=[O:43])[Cl:44].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]=[CH:10][c:11]2[o:12][cH:13][c:14]([CH2:16][O:17][c:18]3[cH:19][cH:20][c:21]([CH2:24][CH2:25][CH2:26][CH2:27][n:28]4[c:29]([CH2:33][CH2:34][NH2:35])[n:30][cH:31][cH:32]4)[cH:22][cH:23]3)[n:15]2)[cH:7][cH:8]1)([F:36])[F:37]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]=[CH:10][c:11]2[o:12][cH:13][c:14]([CH2:16][O:17][c:18]3[cH:19][cH:20][c:21]([CH2:24][CH2:25][CH2:26][CH2:27][n:28]4[c:29]([CH2:33][CH2:34][NH:35][S:41]([CH:39]([CH3:38])[CH3:40])(=[O:42])=[O:43])[n:30][cH:31][cH:32]4)[cH:22][cH:23]3)[n:15]2)[cH:7][cH:8]1)([F:36])[F:37]