Trifluoroacetic acid → Trifluoroacetic acid

HRID 2340806Notes

Reaction equation

HRID 2340806 reaction equation
[CH2:28]([N:29]([CH2:30][CH3:31])[C:32]([c:33]1[cH:34][cH:35][c:36]2[c:57]([cH:58]1)[O:56][c:55]1[c:54]([cH:64][cH:63][cH:62][c:59]1[O:60][CH3:61])[N:37]2[CH:38]1[CH2:39][CH:40]2[N:41]([CH2:42][CH2:43][c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[CH:50]([CH2:51][CH2:52]2)[CH2:53]1)=[O:65])[CH3:66].[CH3:8][O:9][c:10]1[cH:11][c:12]([C:13]#[N:14])[cH:15][cH:16][c:17]1[NH:18][CH:19]1[CH2:20][CH:21]2[CH2:22][CH2:23][CH:24]([CH2:25]1)[N:26]2[CH3:27].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[OH:9][c:10]1[cH:11][c:12]([C:13]#[N:14])[cH:15][cH:16][c:17]1[NH:18][CH:19]1[CH2:20][CH:21]2[CH2:22][CH2:23][CH:24]([CH2:25]1)[N:26]2[CH3:27]

Participants

5

Reactant 3

HCID 6422Trifluoroacetic acidHCID 116709266-methoxy-10-(8-phenethyl-8-aza-bicyclo[3.2.1]oct-3-yl)-10H-phenoxazine-3-carboxylic acid diethylamideHCID 598147413-Methoxy-4-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-ylamino)-benzonitrile

Product 2

HCID 6422Trifluoroacetic acidHCID 598146983-Hydroxy-4-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-ylamino)-benzonitrile

Sources & evidence

ORD record
ord-e6ef24f885bf4a5f8a7d721223c041b1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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