HRID1134715

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID15355

Phosphorous triamide, hexamethyl-

C6H18N3P

HCID3826051

未命名化合物

结构：COc1cc(C)c(C(=O)c2c(Cl)cncc2C(F)(F)F)c(OC)c1OC

HCID12151303

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)c(C(=O)c2c(OC)cncc2C(F)(F)F)c(OC)c1OC

HCID12151304

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea870355262a40be9a7daed62999373e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:11][O:12][c:13]1[c:14]([C:15](=[O:16])[c:17]2[c:18]([Cl:27])[cH:19][n:20][cH:21][c:22]2[C:23]([F:24])([F:25])[F:26])[c:28]([CH3:36])[cH:29][c:30]([O:34][CH3:35])[c:31]1[O:32][CH3:33].[CH3:1][O-:2].[CH3:37][N:38]([CH3:39])[P:40]([N:41]([CH3:42])[CH3:43])[N:44]([CH3:45])[CH3:46].[CH3:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[Na+:3].[OH2:47]>>[CH3:1][O:2][c:18]1[c:17]([C:15]([c:14]2[c:13]([O:12][CH3:11])[c:31]([O:32][CH3:33])[c:30]([O:34][CH3:35])[cH:29][c:28]2[CH3:36])=[O:16])[c:22]([C:23]([F:24])([F:25])[F:26])[cH:21][n:20][cH:19]1