Acetonitrile → 6-(Ethoxy(diethylphosphonomethyl)phosphinoyl)-3,4-dihydro-4,4-dimethylchromen-2-one
Reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[O:8][C:7](=[O:12])[CH2:6][C:5]2([CH3:13])[CH3:14].[CH2:15]([CH3:16])[O:17][P:18]([O:19][CH2:20][CH3:21])(=[O:22])[CH2:23][PH:24](=[O:25])[O:26][CH2:27][CH3:28].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][C:37]#[N:38].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[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)[cH:114][cH:115]1>>[c:2]1([P:24]([CH2:23][P:18]([O:17][CH2:15][CH3:16])([O:19][CH2:20][CH3:21])=[O:22])(=[O:25])[O:26][CH2:27][CH3:28])[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[O:8][C:7](=[O:12])[CH2:6][C:5]2([CH3:13])[CH3:14]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-af62abcc635b42728504cdf95c0cd130
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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