HRID298175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID9877845

(4-amino-benzyl)-methyl-(tetrahydro-pyran -4-yl)-amine

C13H20N2O

结构：CCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCS3(=O)=O)cc1

HCID21995826

未命名化合物

PRODUCTS

生成物

结构：CCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCS3(=O)=O)cc1

HCID3009396

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b1af68038444ac38ba76f8ff657890f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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