Toluene → HCID 17862551, compound

HRID 1125544Notes

Reaction equation

HRID 1125544 reaction equation
[CH2:1]([CH:2]=[CH2:3])[O:4][P:5](=[O:6])([O:7][CH2:8][CH:9]=[CH2:10])[O:11][CH2:12][c:13]1[c:14]([C:15](=[O:16])[O:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([O:23][CH3:24])[cH:25][cH:26]2)[cH:27][cH:28][c:29]([C:31]#[N:32])[cH:30]1.[CH3:33][O:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[OH:41][C:42]([C:43]([F:44])([F:45])[F:46])=[O:47]>>[CH2:1]([CH:2]=[CH2:3])[O:4][P:5](=[O:6])([O:7][CH2:8][CH:9]=[CH2:10])[O:11][CH2:12][c:13]1[c:14]([C:15](=[O:16])[OH:17])[cH:27][cH:28][c:29]([C:31]#[N:32])[cH:30]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 17862545HCID 17862545, compound

Product 1

HCID 17862551HCID 17862551, compound

Sources & evidence

ORD record
ord-6f73c48dc5fb414c917d665e88ba5eae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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