Toluene → HCID 19961641, compound

HRID 315027Notes

Reaction equation

HRID 315027 reaction equation
[Al+3:31].[CH3:27][CH:28]([CH3:29])[O-:30].[CH3:32][CH:33]([CH3:34])[O-:35].[CH3:36][CH:37]([CH3:38])[O-:39].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:54][CH2:55][O:56][CH2:57][CH3:58].[O:47]=[C:48]1[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]1.[n:1]1[cH:2][c:3]([C:7]2=[CH:12][CH2:11][CH:10]3[C:8]2([CH3:9])[CH2:25][CH2:24][CH:23]2[CH:13]3[CH2:14][CH2:15][CH:16]3[CH2:17][CH:18]([OH:26])[CH2:19][CH2:20][C:21]32[CH3:22])[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([C:7]2=[CH:12][CH2:11][CH:10]3[C:8]2([CH3:9])[CH2:25][CH2:24][CH:23]2[CH:13]3[CH2:14][CH2:15][CH:16]3[CH2:17][C:18](=[O:26])[CH2:19][CH2:20][C:21]32[CH3:22])[cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 3283Diethyl EtherHCID 7967CyclohexanoneHCID 104727Aluminum CationHCID 3260420Isopropanolate3×HCID 19961649HCID 19961649, compound

Product 1

HCID 19961641HCID 19961641, compound

Sources & evidence

ORD record
ord-45d63590e4bd4d908f8bb5be0a19803c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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