HRID669178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID24386

Thionyl chloride

Cl2OS

HCID560044

未命名化合物

结构：CCCCOC(C)Oc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCCOC4)cc2)CCN3)cc1

HCID69749379

未命名化合物

PRODUCTS

生成物

结构：CCCCOC(C)Oc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCCOC4)cc2)CCN3C(=O)CC2(C)OCCO2)cc1

HCID69749038

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a036afe167fb4eef899122ec499b700e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:20]([CH2:21][CH2:22][CH3:23])[O:24][CH:25]([CH3:26])[O:27][c:28]1[cH:29][cH:30][c:31](-[c:34]2[cH:35][cH:36][c:37]3[c:38]([cH:62]2)[CH:39]=[C:40]([C:44](=[O:45])[NH:46][c:47]2[cH:48][cH:49][c:50]([CH2:53][N:54]([CH:55]4[CH2:56][CH2:57][CH2:58][O:59][CH2:60]4)[CH3:61])[cH:51][cH:52]2)[CH2:41][CH2:42][NH:43]3)[cH:32][cH:33]1.[CH3:6][C:7]1([CH2:12][C:13](=[O:14])[OH:15])[O:8][CH2:9][CH2:10][O:11]1.[O:1]=[CH:2][N:3]([CH3:4])[CH3:5].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[S:16]([Cl:17])([Cl:18])=[O:19].[cH:68]1[cH:69][cH:70][n:71][cH:72][cH:73]1>>[CH3:6][C:7]1([CH2:12][C:13](=[O:15])[N:43]2[c:37]3[cH:36][cH:35][c:34](-[c:31]4[cH:30][cH:29][c:28]([O:27][CH:25]([O:24][CH2:20][CH2:21][CH2:22][CH3:23])[CH3:26])[cH:33][cH:32]4)[cH:62][c:38]3[CH:39]=[C:40]([C:44](=[O:45])[NH:46][c:47]3[cH:48][cH:49][c:50]([CH2:53][N:54]([CH:55]4[CH2:56][CH2:57][CH2:58][O:59][CH2:60]4)[CH3:61])[cH:51][cH:52]3)[CH2:41][CH2:42]2)[O:8][CH2:9][CH2:10][O:11]1