HRID684754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CN(C)c1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCO3)cc1

HCID18472540

未命名化合物

HCID22989986

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CP4(=O)CCCCC4)cc2)CCO3)cc1

HCID18472245

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-508320d1498649369b1791452c597422
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

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