HRID1545360

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID31275

1,4-Dioxane

C4H8O2

HCID4574913

未命名化合物

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

HCID11334366

Tert-butyl 4-bromobenzoate

C11H13BrO2

结构：O=C(Nc1ccc(C2CCNCC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F

HCID52937157

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(N2CCC(c3ccc(NC(=O)c4nc(-c5ccccc5)oc4C(F)(F)F)cc3)CC2)cc1

HCID67427109

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fa80022d55a48b3973dbd9d770e9228
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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