HRID1238938

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID271

Calcium ion

Ca+2

HCID6342

Acetonitrile

C2H3N

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

2 次

HCID10103880

tert-Butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate

C9H15NO3

HCID21363820

1-(4-Chlorophenyl)-1,4-diazepane

C11H15ClN2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(O)C(N2CCCN(c3ccc(Cl)cc3)CC2)C1

HCID66967969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5fb9da77329430dbba27bce8471c1e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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