Dichloromethane → Trifluoroacetic acid

HRID 187429Notes

Reaction equation

HRID 187429 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH:10]2[CH:11]([CH2:14][N:15]([C:16](=[O:17])[c:18]3[s:19][cH:20][cH:21][cH:22]3)[c:23]3[cH:24][c:25]([F:35])[c:26]([N:29]4[CH2:30][CH2:31][O:32][CH2:33][CH2:34]4)[cH:27][cH:28]3)[CH:12]2[CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:43][CH2:44][Cl:45].[F:36][C:37]([C:38](=[O:39])[OH:40])([F:41])[F:42]>>[F:36][C:37]([C:38](=[O:39])[OH:40])([F:41])[F:42].[NH:8]1[CH2:9][CH:10]2[CH:11]([CH2:14][N:15]([C:16](=[O:17])[c:18]3[s:19][cH:20][cH:21][cH:22]3)[c:23]3[cH:24][c:25]([F:35])[c:26]([N:29]4[CH2:30][CH2:31][O:32][CH2:33][CH2:34]4)[cH:27][cH:28]3)[CH:12]2[CH2:13]1

Participants

5

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 690366556-{[(3-Fluoro-4-morpholin-4-yl-phenyl)-(thiophene-2-carbonyl)-amino]methyl}-3-aza-bicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester

Product 2

HCID 6422Trifluoroacetic acidHCID 72401275Thiophene-2-carboxylic acid (3-aza-bicyclo[3.1.0]hex-6-ylmethyl)-(3-fluoro-4-morpholin-4-yl-phenyl)-amide

Sources & evidence

ORD record
ord-4dc5ba5f95fc4b269dce7ee9fec4d0bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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