2-Phenylethanol → HCID 22238269, compound

HRID 2335737Notes

Reaction equation

HRID 2335737 reaction equation
[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[C:11]([CH3:23])([CH3:24])[O:12][c:13]3[c:14]2[c:15]([CH3:22])[c:16]([OH:21])[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1.[O:53]=[C:54]([O:55][CH2:56][CH3:57])[N:58]=[N:59][C:60]([O:61][CH2:62][CH3:63])=[O:64].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1.[OH:25][CH2:26][CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[C:11]([CH3:23])([CH3:24])[O:12][c:13]3[c:14]2[c:15]([CH3:22])[c:16]([O:21][CH2:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1

Participants

6

Reactant 5

HCID 60542-PhenylethanolHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 10881888HCID 10881888, compound

Product 1

HCID 22238269HCID 22238269, compound

Sources & evidence

ORD record
ord-83e372c265a6459186180d07f6ea20f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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