HRID2339535

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

结构：COc1ccccc1N(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(C(=O)O)cc1

HCID19689927

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1N(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(C(N)=O)cc1

HCID19689848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45aa69f27bbe4090beaedc4f78269190
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:39][N:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[Cl:46][C:47]([O:48][CH2:49][CH:50]([CH3:51])[CH3:52])=[O:53].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[CH:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][N:16]([c:17]3[c:18]([O:23][CH3:24])[cH:19][cH:20][cH:21][cH:22]3)[S:25](=[O:26])(=[O:27])[c:28]3[cH:29][cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36]3)[CH2:12][CH2:13]2)[cH:37][cH:38]1.[NH3:54]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[CH:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][N:16]([c:17]3[c:18]([O:23][CH3:24])[cH:19][cH:20][cH:21][cH:22]3)[S:25](=[O:26])(=[O:27])[c:28]3[cH:29][cH:30][c:31]([C:32](=[O:33])[NH2:40])[cH:35][cH:36]3)[CH2:12][CH2:13]2)[cH:37][cH:38]1