Toluene → HCID 178430476, compound

HRID 701021Notes

Reaction equation

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

Participants

Reactant 4

HCID 1140Toluene

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 66878996Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[1-(3-chloro-4-cyano-2-methylanilino)ethyl]pyrrolidine-1-carboxylate

Product 1

HCID 178430476HCID 178430476, compound

Sources & evidence

ORD record: ord-bd2851b8d8a0452397c0caab733504f8
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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