Toluene → HCID 67302000, compound

HRID 2149831Notes

Reaction equation

HRID 2149831 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][CH2:8][CH:9]([OH:12])[CH2:10][CH2:11]1.[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[F:32][c:33]1[c:34]([OH:40])[c:35]([F:39])[cH:36][cH:37][cH:38]1.[O:41]=[C:42]([O:43][CH2:44][CH3:45])[N:46]=[N:47][C:48]([O:49][CH2:50][CH3:51])=[O:52].[c:13]1([P:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][CH2:8][CH:9]([O:12][c:34]2[c:33]([F:32])[cH:38][cH:37][cH:36][c:35]2[F:39])[CH2:10][CH2:11]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 11776TriphenylphosphineHCID 86973Ethyl 4-hydroxycyclohexanecarboxylateHCID 943922,6-DifluorophenolHCID 220568ethyl N-ethoxycarbonyliminocarbamate

Product 1

HCID 67302000HCID 67302000, compound

Sources & evidence

ORD record
ord-1b8171d808f546d19032b36ecc3abf9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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