HRID1127148

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID22097674

1-[4-(Trifluoromethyl)phenyl]piperidin-4-ol

C12H14F3NO

结构：CC(C)(C)OC(=O)N1CCC(NC(=O)c2nc3ccc(O)cc3o2)CC1

HCID57951081

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(NC(=O)c2nc3ccc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3o2)CC1

HCID57951056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-476c37d3a9a2410892409781dc9af418
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

[CH3:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[F:41][C:42]([c:43]1[cH:44][cH:45][c:46]([N:49]2[CH2:50][CH2:51][CH:52]([OH:55])[CH2:53][CH2:54]2)[cH:47][cH:48]1)([F:56])[F:57].[O:27]=[C:28]([O:29][CH:30]([CH3:31])[CH3:32])[N:33]=[N:34][C:35]([O:36][CH:37]([CH3:38])[CH3:39])=[O:40].[OH:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([C:9](=[O:10])[NH:11][CH:12]3[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]3)[o:8]2)[cH:25][cH:26]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[O:1]([c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([C:9](=[O:10])[NH:11][CH:12]3[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]3)[o:8]2)[cH:25][cH:26]1)[CH:52]1[CH2:51][CH2:50][N:49]([c:46]2[cH:45][cH:44][c:43]([C:42]([F:41])([F:56])[F:57])[cH:48][cH:47]2)[CH2:54][CH2:53]1