HRID1118995

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

结构：Nc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1

HCID10128748

未命名化合物

HCID18369568

tert-Butyl [(3-hydroxyphenyl)methyl]carbamate

C12H17NO3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1

HCID69252950

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53b27835d8984c1d9d117200353a9ea9
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][c:9]1[cH:10][c:11]([OH:15])[cH:12][cH:13][cH:14]1)=[O:16].[CH2:88]1[O:89][CH2:90][CH2:91][CH2:92]1.[Cl:36][c:37]1[c:38]([CH2:39][N:40]([CH2:41][CH2:42][CH2:43][O:44][c:45]2[cH:46][c:47]([NH2:48])[cH:49][cH:50][cH:51]2)[CH2:52][CH:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][c:69]1[C:70]([F:71])([F:72])[F:73].[O:74]=[C:75]([O:76][CH:77]([CH3:78])[CH3:79])[N:80]=[N:81][C:82]([O:83][CH:84]([CH3:85])[CH3:86])=[O:87].[c:17]1([P:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][c:9]1[cH:10][c:11]([O:15][CH2:43][CH2:42][CH2:41][N:40]([CH2:39][c:38]2[c:37]([Cl:36])[c:69]([C:70]([F:71])([F:72])[F:73])[cH:68][cH:67][cH:66]2)[CH2:52][CH:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:12][cH:13][cH:14]1)=[O:16]