HRID2330738

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6228

Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID24386

Thionyl chloride

Cl2OS

反应SMILES：CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCCN3CC(C)C)cc1

HCID68534957

未命名化合物

HCID68650093

未命名化合物

PRODUCTS

产物

反应SMILES：CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(SCc4c(C)ncn4CCC)c(C)c2)CCCN3CC(C)C)cc1

HCID68649925

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-70f84e82da9046feab30f9198bbefb94
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:33]2)[CH:20]=[C:21]([C:30](=[O:31])[OH:32])[CH2:22][CH2:23][CH2:24][N:25]3[CH2:26][CH:27]([CH3:28])[CH3:29])[cH:13][cH:14]1.[CH3:43][c:44]1[cH:45][c:46]([NH2:47])[cH:48][cH:49][c:50]1[S:51][CH2:52][c:53]1[c:54]([CH3:61])[n:55][cH:56][n:57]1[CH2:58][CH2:59][CH3:60].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1.[OH2:73].[S:39]([Cl:40])([Cl:41])=[O:42].[cH:67]1[cH:68][cH:69][n:70][cH:71][cH:72]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:33]2)[CH:20]=[C:21]([C:30](=[O:31])[NH:47][c:46]2[cH:45][c:44]([CH3:43])[c:50]([S:51][CH2:52][c:53]4[c:54]([CH3:61])[n:55][cH:56][n:57]4[CH2:58][CH2:59][CH3:60])[cH:49][cH:48]2)[CH2:22][CH2:23][CH2:24][N:25]3[CH2:26][CH:27]([CH3:28])[CH3:29])[cH:13][cH:14]1