1-Phenyl-1-propanol → HCID 178438966, compound

HRID 665132Notes

Reaction equation

HRID 665132 reaction equation
[CH2:89]1[O:90][CH2:91][CH2:92][CH2:93]1.[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]2[c:9]([cH:30][cH:31]1)[O:10][CH:11]([c:14]1[cH:15][cH:16][c:17]([O:20][CH2:21][c:22]3[cH:23][c:24]([Cl:29])[c:25]([Cl:28])[cH:26][cH:27]3)[cH:18][cH:19]1)[CH2:12][O:13]2)[NH:32][S:33](=[O:34])(=[O:35])[c:36]1[cH:37][cH:38][c:39]([N+:42](=[O:43])[O-:44])[cH:40][cH:41]1)=[O:45].[O:75]=[C:76]([O:77][CH:78]([CH3:79])[CH3:80])[N:81]=[N:82][C:83]([O:84][CH:85]([CH3:86])[CH3:87])=[O:88].[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1.[c:65]1([CH:71]([CH2:72][CH3:73])[OH:74])[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]2[c:9]([cH:30][cH:31]1)[O:10][CH:11]([c:14]1[cH:15][cH:16][c:17]([O:20][CH2:21][c:22]3[cH:23][c:24]([Cl:29])[c:25]([Cl:28])[cH:26][cH:27]3)[cH:18][cH:19]1)[CH2:12][O:13]2)[N:32]([S:33](=[O:34])(=[O:35])[c:36]1[cH:37][cH:38][c:39]([N+:42](=[O:43])[O-:44])[cH:40][cH:41]1)[CH:71]([c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH2:72][CH3:73])=[O:45]

Participants

6

Reactant 5

HCID 71471-Phenyl-1-propanolHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 75555Diisopropyl diazene-1,2-dicarboxylateHCID 66719362Methyl 3-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-2-[(4-nitrophenyl)sulfonylamino]propanoate

Product 1

HCID 178438966HCID 178438966, compound

Sources & evidence

ORD record
ord-e9c2bcd835964874a7ecf3f1be13e9e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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