HRID118460

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID581831

1-(tert-Butoxycarbonyl)piperidine-2-carboxylic acid

C11H19NO4

结构：CNC1CCN(c2nnc(-c3ccc(F)cc3)c(C)c2C)CC1

HCID67368812

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccc(F)cc2)nnc(N2CCC(N(C)C(=O)C3CCCCN3C(=O)OC(C)(C)C)CC2)c1C

HCID67368815

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db16a75f15954cb99c4443414680d9a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[N:31]1[CH:32]([C:37](=[O:38])[OH:39])[CH2:33][CH2:34][CH2:35][CH2:36]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH2:53][CH2:54][N:55]([CH3:56])[CH3:57].[Cl:63][CH2:64][Cl:65].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH3:23])[c:10]([CH3:22])[c:11]([N:14]3[CH2:15][CH2:16][CH:17]([NH:20][CH3:21])[CH2:18][CH2:19]3)[n:12][n:13]2)[cH:6][cH:7]1.[Na+:62].[O-:58][C:59]([OH:60])=[O:61].[OH2:66]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH3:23])[c:10]([CH3:22])[c:11]([N:14]3[CH2:15][CH2:16][CH:17]([N:20]([CH3:21])[C:37]([CH:32]4[N:31]([C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:30])[CH2:36][CH2:35][CH2:34][CH2:33]4)=[O:39])[CH2:18][CH2:19]3)[n:12][n:13]2)[cH:6][cH:7]1