HRID1568739

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1390

1-Methylimidazole

C4H6N2

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID204484

Propylphosphonic acid

C3H9O3P

HCID572616

3-Amino-2-methylpyridine

C6H8N2

结构：O=C(O)c1ccc2c(c1)CCC1CC(O)(c3ccccc3)C(=O)CC21Cc1ccccc1

HCID178524090

未命名化合物

PRODUCTS

生成物

结构：Cc1ncccc1NC(=O)c1ccc2c(c1)CCC1CC(O)(c3ccccc3)C(=O)CC21Cc1ccccc1

HCID72241784

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4504b2fee54481f94421897eb7edcde
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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