HRID1113357

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)n3C(C)C)CC1

HCID68565610

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)n3C(C)C)CC1

HCID68562514

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1adc82121a0442c2be6afef7a1924f6f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH:2]([CH3:3])([CH3:4])[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.[ClH:1].[F:32][C:33]([CH2:34][S:35](=[O:36])(=[O:37])[Cl:38])([F:39])[F:40]>>[CH:2]([CH3:3])([CH3:4])[n:5]1[c:6]([C:24](=[O:25])[N:26]2[CH2:27][CH2:28][N:29]([S:35]([CH2:34][C:33]([F:32])([F:39])[F:40])(=[O:36])=[O:37])[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