HRID158672

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID8028

Tetrahydrofuran

C4H8O

HCID13831

Tributylphosphine

C12H27P

HCID31357

Tributyl phosphate

C12H27O4P

结构：CC(C)CCC(O)CN(C(=O)OC(C)(C)C)C(CO)C(OCc1ccccc1)C(Cc1cc(F)cc(F)c1)N(Cc1ccccc1)Cc1ccccc1

HCID178445069

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCC1CN(C(=O)OC(C)(C)C)C(C(OCc2ccccc2)C(Cc2cc(F)cc(F)c2)N(Cc2ccccc2)Cc2ccccc2)CO1

HCID77514984

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee09198fd5df4781a4026a67f1a10a18
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][CH:9]([CH2:10][CH2:11][CH:12]([CH3:13])[CH3:14])[OH:15])[CH:16]([CH:17]([CH:18]([CH2:19][c:20]1[cH:21][c:22]([F:27])[cH:23][c:24]([F:26])[cH:25]1)[N:28]([CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[O:43][CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[CH2:51][OH:52])=[O:53].[CH2:54]([P:55]([CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH2:62][CH3:63])[CH2:64][CH2:65][CH3:66].[CH3:72][CH2:73][CH2:74][CH2:75][O:76][P:77]([O:78][CH2:79][CH2:80][CH2:81][CH3:82])([O:83][CH2:84][CH2:85][CH2:86][CH3:87])=[O:88].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[cH:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]1[CH2:8][CH:9]([CH2:10][CH2:11][CH:12]([CH3:13])[CH3:14])[O:52][CH2:51][CH:16]1[CH:17]([CH:18]([CH2:19][c:20]1[cH:21][c:22]([F:27])[cH:23][c:24]([F:26])[cH:25]1)[N:28]([CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[O:43][CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)=[O:53]