HRID2162145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID74242

2,2,2-Trifluoroethanesulfonyl chloride

C2H2ClF3O2S

结构：CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCNCC2)n3CC(F)F)CC1

HCID68563634

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCN(S(=O)(=O)CC(F)(F)F)CC2)n3CC(F)F)CC1

HCID68563638

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1482d81c9e6457cb13995c7e5a60e3a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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