HRID1557668

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID12291

Piperidine, 1-methyl-

C6H13N

HCID22100568

tert-Butyl [1-(pyrrolidin-3-yl)cyclopropyl]carbamate

C12H22N2O2

结构：Cc1c(F)cc(O)c2c(=O)c(C(=O)O)cn(C3CC3F)c12

HCID77257491

未命名化合物

PRODUCTS

生成物

结构：Cc1c(N2CCC(C3(NC(=O)OC(C)(C)C)CC3)C2)cc(O)c2c(=O)c(C(=O)O)cn(C3CC3F)c12

HCID178429806

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1851f3b79e0f4a31857b6bfe494bd238
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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