HRID176652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID69860

2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-

C6H8N2O3

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

结构：C=CCN1C2CCC(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C1(c1ccccc1)CC2

HCID178456152

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1cc(COC2CCC3CCC2(c2ccccc2)N3)cc(C(F)(F)F)c1

HCID22724580

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e42bbbb2ecf4208a9bb64a409a445d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:34][N:35]1[C:36](=[O:37])[CH2:38][C:39](=[O:40])[N:41]([CH3:42])[C:43]1=[O:44].[Cl:48][CH2:49][Cl:50].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:13][O:14][CH:15]2[C:16]3([c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[CH2:17][CH2:18][CH:19]([CH2:20][CH2:21]2)[N:22]3[CH2:23][CH:24]=[CH2:25])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:32])[F:33].[Na+:46].[OH-:45].[OH2:47].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:13][O:14][CH:15]2[C:16]3([c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[CH2:17][CH2:18][CH:19]([CH2:20][CH2:21]2)[NH:22]3)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:32])[F:33]