HRID118373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID3513851

BEMP phosphazene

C13H31N4P

HCID57284827

未命名化合物

结构：CC(NC(=O)c1cc(Cl)cnc1Cl)c1ccc(C(=O)OC(C)(C)C)cc1

HCID76569243

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)c1cc(Cl)cnc1Oc1cccc(-c2nccs2)c1)c1ccc(C(=O)OC(C)(C)C)cc1

HCID178464837

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c49193864904c7681016e9a22ebf145
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

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