Toluene → HCID 67332720, compound

HRID 683790Notes

Reaction equation

HRID 683790 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][CH:9]([C:10]([NH:11][C:12]([CH2:13][c:14]1[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]1)([CH3:21])[CH3:22])=[O:23])[NH:24][C:25](=[O:26])[c:27]1[cH:28][cH:29][c:30](-[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:31][cH:32]1)=[O:39].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[OH:40][C:41]([C:42]([F:43])([F:44])[F:45])=[O:46]>>[O:5]=[C:6]([CH2:7][CH2:8][CH:9]([C:10]([NH:11][C:12]([CH2:13][c:14]1[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]1)([CH3:21])[CH3:22])=[O:23])[NH:24][C:25](=[O:26])[c:27]1[cH:28][cH:29][c:30](-[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:31][cH:32]1)[OH:39]

Participants

4

Reactant 3

HCID 1140TolueneHCID 6422Trifluoroacetic acidHCID 68828711HCID 68828711, compound

Product 1

HCID 67332720HCID 67332720, compound

Sources & evidence

ORD record
ord-55d04f23db0b43108bdd554dde67ca0b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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