HRID2322931

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8082

Piperidine

C5H11N

2 次

HCID13831

Tributylphosphine

C12H27P

HCID415805

未命名化合物

HCID15429162

tert-Butyl (4-hydroxy-2-methylphenyl)carbamate

C12H17NO3

反应SMILES：OCc1c(C2CC2)cnn1-c1ccccc1OC(F)(F)F

HCID57443267

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc(OCc2c(C3CC3)cnn2-c2ccccc2OC(F)(F)F)ccc1NC(=O)OC(C)(C)C

HCID57443358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a9397d30a5e440648b4a71da2374617b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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