Toluene → HCID 53330343, compound

HRID 1219709Notes

Reaction equation

HRID 1219709 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([N:14]([N:15]([C:16](=[O:17])[CH:18]2[CH2:19][CH2:20][CH:21]([CH3:24])[CH2:22][CH2:23]2)[c:25]2[c:26]([C:36](=[O:37])[OH:38])[s:27][c:28]([C:30]#[C:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:29]2)[CH3:39])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[F:40][C:41]([F:42])([F:43])[C:44]([OH:45])=[O:46]>>[NH:8]1[CH2:9][CH2:10][CH:11]([N:14]([N:15]([C:16](=[O:17])[CH:18]2[CH2:19][CH2:20][CH:21]([CH3:24])[CH2:22][CH2:23]2)[c:25]2[c:26]([C:36](=[O:37])[OH:38])[s:27][c:28]([C:30]#[C:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:29]2)[CH3:39])[CH2:12][CH2:13]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 6422Trifluoroacetic acidHCID 53328177HCID 53328177, compound

Product 1

HCID 53330343HCID 53330343, compound

Sources & evidence

ORD record
ord-dec65aee94ce42a994527f9fbd4630eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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