HRID117020

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID2734638

1-(2-Methoxyethyl)piperazine

C7H16N2O

结构：CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CCCNC(=O)CCl)c12

HCID58492561

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CCCNC(=O)CN3CCN(CCOC)CC3)c12

HCID58492598

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb32d69d14e04349a864ac2751d9c029
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

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