Acetic Acid → tert-butyl N-[2-[[2-[[1-[(4-chloro-3-nitrophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]carbamoyl]-4-(trifluoromethyl)phenyl]carbamate

HRID 1562009Notes

Reaction equation

HRID 1562009 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([C:11](=[O:12])[NH:13][CH2:14][C:15](=[O:16])[NH:17][CH:18]2[CH2:19][NH:20][CH2:21][CH2:22]2)[cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]1.[C:47]([BH3-:48])#[N:49].[CH3:43][C:44](=[O:45])[OH:46].[CH3:51][OH:52].[Cl:31][c:32]1[c:33]([N+:40](=[O:41])[O-:42])[cH:34][c:35]([CH:36]=[O:37])[cH:38][cH:39]1.[Na+:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([C:11](=[O:12])[NH:13][CH2:14][C:15](=[O:16])[NH:17][CH:18]2[CH2:19][N:20]([CH2:36][c:35]3[cH:34][c:33]([N+:40](=[O:41])[O-:42])[c:32]([Cl:31])[cH:39][cH:38]3)[CH2:21][CH2:22]2)[cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 855054-Chloro-3-nitrobenzaldehydeHCID 498716Cyano-borohydrideHCID 18426286tert-butyl N-[2-[[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]carbamoyl]-4-(trifluoromethyl)phenyl]carbamate

Product 1

HCID 18426287tert-butyl N-[2-[[2-[[1-[(4-chloro-3-nitrophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]carbamoyl]-4-(trifluoromethyl)phenyl]carbamate

Sources & evidence

ORD record
ord-13fbe050d0d24a918fd620f737b2555d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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