HRID1232902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID13956993

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

C21H29N3

HCID54140853

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C=CC(=O)NCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1

HCID65933

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05473ede68f6445180be35ef72117f38
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:13]([Cl:14])(=[O:15])[C:16]([CH3:17])([CH3:18])[CH3:19].[C:44](=[O:45])([O-:46])[O-:47].[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH:8]=[CH:9][C:10](=[O:11])[OH:12])[cH:6][n:7]1.[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[K+:48].[K+:49].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[c:20]1([CH:26]([N:27]2[CH2:28][CH2:29][N:30]([CH2:33][CH2:34][CH2:35][CH2:36][NH2:37])[CH2:31][CH2:32]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH:8]=[CH:9][C:10](=[O:12])[NH:37][CH2:36][CH2:35][CH2:34][CH2:33][N:30]2[CH2:29][CH2:28][N:27]([CH:26]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[CH2:32][CH2:31]2)[cH:6][n:7]1