Toluene → Pmid22984835C4

HRID 2333271Notes

Reaction equation

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[NH:23][C:24](=[O:25])[c:26]2[n:27][n:28](-[c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[c:29]([O:31][C:32]3([C:36](=[O:37])[O:38][CH2:39][CH3:40])[CH2:33][CH2:34][CH2:35]3)[cH:30]2)=[O:47])[CH2:10][CH2:11]1.[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Cl:55][CH2:56][Cl:57].[F:58][C:59]([F:60])([F:61])[C:62]([OH:63])=[O:64]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][CH2:15][C:16](=[O:17])[OH:18])[NH:23][C:24](=[O:25])[c:26]2[n:27][n:28](-[c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[c:29]([O:31][C:32]3([C:36](=[O:37])[O:38][CH2:39][CH3:40])[CH2:33][CH2:34][CH2:35]3)[cH:30]2)=[O:47])[CH2:10][CH2:11]1

Participants

Reactant 4

HCID 1140Toluene

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 66920126Ethyl 4-[2-[[5-(1-ethoxycarbonylcyclobutyl)oxy-1-phenylpyrazole-3-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate

Product 1

HCID 66920242Pmid22984835C4

Sources & evidence

ORD record: ord-d356970893204e8f8614b1cc9738711f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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