HRID206125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)N1CCC(Oc2cc(N)cc(C(F)(F)F)c2)CC1

HCID21959419

未命名化合物

HCID21959582

2-Fluoropyridine-3-carbonyl chloride

C6H3ClFNO

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Oc2cc(NC(=O)c3cccnc3F)cc(C(F)(F)F)c2)CC1

HCID21959521

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ad7ab36a3104271aff1f89f63f2f97a
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

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