HRID164194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

结构：CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1CBr

HCID16638881

N-[5-(Bromomethyl)-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide

C16H19BrFN3O2S

HCID178476774

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1CP(=O)(c1ccccc1)c1ccccc1

HCID9937035

N-{5-[(Diphenylphosphoryl)methyl]-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidin-2-yl}-N-methylmethanesulfonamide

C28H29FN3O3PS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9e7ca8927c449788a1aa64718815607
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][CH2:2][c:3]1[c:4](-[c:18]2[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]2)[n:5][c:6]([N:12]([S:13](=[O:14])(=[O:15])[CH3:16])[CH3:17])[n:7][c:8]1[CH:9]([CH3:10])[CH3:11].[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[OH2:48].[c:32]1([PH2:38]([O:39][CH2:40][CH3:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[CH2:2]([c:3]1[c:4](-[c:18]2[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]2)[n:5][c:6]([N:12]([S:13](=[O:14])(=[O:15])[CH3:16])[CH3:17])[n:7][c:8]1[CH:9]([CH3:10])[CH3:11])[P:38]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)(=[O:39])[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1