Trifluoroacetic acid → Trifluoroacetic acid

HRID 312025Notes

Reaction equation

HRID 312025 reaction equation
[CH2:35]([N:36]([CH2:37][CH3:38])[C:39]([c:40]1[cH:41][cH:42][c:43]2[c:64]([cH:65]1)[O:63][c:62]1[c:61]([cH:71][cH:70][cH:69][c:66]1[O:67][CH3:68])[N:44]2[CH:45]1[CH2:46][CH:47]2[N:48]([CH2:49][CH2:50][c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[CH:57]([CH2:58][CH2:59]2)[CH2:60]1)=[O:72])[CH3:73].[CH3:8][O:9][c:10]1[c:11]2[c:20]([cH:21][cH:22][cH:23]1)[N:19]([CH:24]1[CH2:25][CH:26]3[CH2:27][CH2:28][CH:29]([CH2:30]1)[N:31]3[CH3:32])[c:18]1[c:13]([cH:14][c:15]([C:33]#[N:34])[cH:16][cH:17]1)[O:12]2.[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[c:11]2[c:20]([cH:21][cH:22][cH:23]1)[N:19]([CH:24]1[CH2:25][CH:26]3[CH2:27][CH2:28][CH:29]([CH2:30]1)[N:31]3[CH3:32])[c:18]1[c:13]([cH:14][c:15]([C:33]#[N:34])[cH:16][cH:17]1)[O:12]2

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 598147356-Methoxy-10-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-10H-phenoxazine-3-carbonitrile

Product 2

HCID 6422Trifluoroacetic acidHCID 598146606-Hydroxy-10-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-10H-phenoxazine-3-carbonitrile

Sources & evidence

ORD record
ord-aedcaa3c84c14ebc83b402230191ffc5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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