HRID201037

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID141917

2-(Bromomethyl)tetrahydro-2H-pyran

C6H11BrO

结构：Cc1ccc(S(=O)(=O)OCC2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID10642851

tert-Butyl 4-{[(4-methylbenzene-1-sulfonyl)oxy]methyl}piperidine-1-carboxylate

C18H27NO5S

HCID59263354

未命名化合物

HCID59352569

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CN2C(=O)C3(COc4cc(F)c(F)cc43)c3ccccc32)CC1

HCID59352356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84278d97e7fd430fa486e10012e7c87d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:26][CH2:27][CH:28]1[CH2:29][CH2:30][CH2:31][CH2:32][O:33]1.[F:34][c:35]1[c:36]([F:53])[cH:37][c:38]2[c:39]([cH:52]1)[C:40]1([CH2:41][O:42]2)[C:43](=[O:51])[NH:44][c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]21.[NH:54]1[c:55]2[c:56]([cH:57][cH:58][cH:59][cH:60]2)[C:61]2([CH2:62][O:63][c:64]3[cH:65][c:66]4[c:67]([cH:68][c:69]32)[CH2:70][CH2:71][O:72]4)[C:73]1=[O:74].[S:1]([O:2][CH2:12][CH:13]1[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]1)([c:3]1[cH:4][cH:5][c:6]([CH3:7])[cH:8][cH:9]1)(=[O:10])=[O:11]>>[CH2:12]([CH:13]1[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]1)[N:44]1[C:43](=[O:51])[C:40]2([c:39]3[c:38]([cH:37][c:36]([F:53])[c:35]([F:34])[cH:52]3)[O:42][CH2:41]2)[c:50]2[c:45]1[cH:46][cH:47][cH:48][cH:49]2