HRID832535

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID8471

Triethylamine

C6H15N

HCID84853

1-(4-Fluorobenzoyl)aziridine

C9H8FNO

HCID21428924

未命名化合物

PRODUCTS

生成物

结构：N#CCCn1c(=O)n(C2CCN(CCNC(=O)c3ccc(F)cc3)CC2)c2ccccc21

HCID21428991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c583deb8b96466e924430f669c96bcb
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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