HRID312842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID79000

Trifluoromethanesulphonyl chloride

CClF3O2S

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID18690833

1-(Trifluoromethanesulfonyl)piperazine

C5H9F3N2O2S

结构：CC(C)N1CCC(Oc2cc3cc(C(=O)O)[nH]c3cc2Br)CC1

HCID67017931

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCC(Oc2cc3cc(C(=O)N4CCN(S(=O)(=O)C(F)(F)F)CC4)[nH]c3cc2Br)CC1

HCID68565282

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d82c061e2d134ed2a728e3045ced8c0d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[c:3]([O:14][CH:15]2[CH2:16][CH2:17][N:18]([CH:21]([CH3:22])[CH3:23])[CH2:19][CH2:20]2)[cH:4][c:5]2[cH:6][c:7]([C:11](=[O:12])[OH:13])[nH:8][c:9]2[cH:10]1.[ClH:24].[F:25][C:26]([S:27](=[O:28])(=[O:29])[N:30]1[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1)([F:36])[F:37].[F:38][C:39]([F:40])([F:41])[S:42]([Cl:43])(=[O:44])=[O:45].[N:46]1([C:47]([O:48][C:49]([CH3:50])([CH3:51])[CH3:52])=[O:53])[CH2:54][CH2:55][NH:56][CH2:57][CH2:58]1>>[Br:1][c:2]1[c:3]([O:14][CH:15]2[CH2:16][CH2:17][N:18]([CH:21]([CH3:22])[CH3:23])[CH2:19][CH2:20]2)[cH:4][c:5]2[cH:6][c:7]([C:11](=[O:12])[N:33]3[CH2:32][CH2:31][N:30]([S:27]([C:26]([F:25])([F:36])[F:37])(=[O:28])=[O:29])[CH2:35][CH2:34]3)[nH:8][c:9]2[cH:10]1