HRID1136034

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID11543054

未命名化合物

HCID22100568

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

C12H22N2O2

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(N2CCC(C3(NC(=O)OC(C)(C)C)CC3)C2)c(OC)c1F

HCID178468974

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3eabec9e08e84e1cb3baafd9b9a68a22
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

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