Ethanol → tert-Butyl 3-{[(4-{[bis(2,2,2-trifluoroethyl)amino]carbonyl}-2-nitrophenyl)amino]methyl}morpholine-4-carboxylate

HRID 169000Notes

Reaction equation

HRID 169000 reaction equation
[CH3:39][CH2:40][OH:41].[F:1][c:2]1[c:3]([N+:21](=[O:22])[O-:23])[cH:4][c:5]([C:6](=[O:7])[N:8]([CH2:9][C:10]([F:11])([F:12])[F:13])[CH2:14][C:15]([F:16])([F:17])[F:18])[cH:19][cH:20]1.[NH2:24][CH2:25][CH:26]1[CH2:27][O:28][CH2:29][CH2:30][N:31]1[C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38]>>[c:2]1([NH:24][CH2:25][CH:26]2[CH2:27][O:28][CH2:29][CH2:30][N:31]2[C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[c:3]([N+:21](=[O:22])[O-:23])[cH:4][c:5]([C:6](=[O:7])[N:8]([CH2:9][C:10]([F:11])([F:12])[F:13])[CH2:14][C:15]([F:16])([F:17])[F:18])[cH:19][cH:20]1

Participants

4

Reactant 3

HCID 702EthanolHCID 441823253-Aminomethyl-4-boc-morpholineHCID 589117444-Fluoro-3-nitro-N,N-bis(2,2,2-trifluoroethyl)benzamide

Product 1

HCID 58874473tert-Butyl 3-{[(4-{[bis(2,2,2-trifluoroethyl)amino]carbonyl}-2-nitrophenyl)amino]methyl}morpholine-4-carboxylate

Sources & evidence

ORD record
ord-95282b6dfe7349e790fab97477a5f078
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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