HRID109524

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24813

Phosphoric trichloride

Cl3OP

结构：CC(C)(C)C(=O)NC(c1cccc(OCc2ccccc2)c1)c1nccnc1Cl

HCID59852773

未命名化合物

结构：CC(C)(C)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(Cl)nccn12

HCID59852795

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12

HCID11280211

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83736970db2945e6aff3a275a0f604b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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