HRID1137910

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID2784750

3-(5-Fluoro-3-pyridinyl)-2-propenoic acid

C8H6FNO2

HCID13956993

4-[4-(Diphenylmethyl)piperazin-1-yl]butan-1-amine

C21H29N3

PRODUCTS

生成物

结构：O=C(C=Cc1cncc(F)c1)NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1

HCID53948199

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbd954edf28f4e3e94b77bad854c4252
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

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