HRID1146270

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID13831

Tributylphosphine

C12H27P

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

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：CCCC[P+](CCCC)(CCCC)Cc1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C

HCID49783152

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24765c9c130d49849610a48e4837a6ff
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

[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].[CH2:25]([CH2:26][CH2:27][CH3:28])[P:29]([CH2:30][CH2:31][CH2:32][CH3:33])[CH2:34][CH2:35][CH2:36][CH3:37].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[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])[P+:29]([CH2:25][CH2:26][CH2:27][CH3:28])([CH2:30][CH2:31][CH2:32][CH3:33])[CH2:34][CH2:35][CH2:36][CH3:37]