Dichloromethane → Trifluoroacetic acid

HRID 199692Notes

Reaction equation

HRID 199692 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][c:16]3[c:17]([cH:34][cH:35]2)-[c:18]2[n:19][c:20](-[c:26]4[n:27]([CH:31]([CH3:32])[CH3:33])[n:28][cH:29][n:30]4)[cH:21][n:22]2[CH2:23][CH2:24][O:25]3)[CH2:12][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][CH2:10][CH:11]([c:14]2[cH:15][c:16]3[c:17]([cH:34][cH:35]2)-[c:18]2[n:19][c:20](-[c:26]4[n:27]([CH:31]([CH3:32])[CH3:33])[n:28][cH:29][n:30]4)[cH:21][n:22]2[CH2:23][CH2:24][O:25]3)[CH2:12][CH2:13]1

Participants

5

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 582049544-[2(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulen-8-yl]-piperidine-1-carboxylic acid tert-butyl ester

Product 2

HCID 6422Trifluoroacetic acidHCID 582045509-Piperidin-4-yl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine

Sources & evidence

ORD record
ord-3a49f685bb324150827730d4a2d6137f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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