9-(8-Aza-bicyclo[3.2.1]oct-3-ylidene)-5-bromo-9H-xanthene-3-carboxylic acid diethylamide → Trifluoroacetic acid

HRID 669946Notes

Reaction equation

HRID 669946 reaction equation
[CH2:1]([CH3:2])[N:3]([C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]2[c:18]([cH:19]1)[O:17][c:16]1[c:11]([cH:12][c:13]([F:20])[cH:14][cH:15]1)[C:10]2=[C:21]1[CH2:22][CH:23]2[CH2:24][CH2:25][CH:26]([CH2:27]1)[N:28]2[C:29]([C:30]([F:31])([F:32])[F:33])=[O:34])[CH2:35][CH3:36].[CH2:37]([N:38]([CH2:39][CH3:40])[C:42](=[O:41])[c:43]1[cH:44][cH:45][c:46]2[c:65]([cH:66]1)[O:64][c:63]1[c:62]([cH:72][cH:71][cH:70][c:67]1[O:68][CH3:69])[C:47]2=[C:48]1[CH2:49][CH:50]2[N:51]([C:52](=[O:53])[C:54]([F:55])([F:56])[F:57])[CH:58]([CH2:59][CH2:60]2)[CH2:61]1)[CH3:73].[CH2:74]([N:75]([CH2:76][CH3:77])[C:78]([c:79]1[cH:80][cH:81][c:82]2[c:95]([cH:96]1)[O:94][c:93]1[c:92]([cH:101][cH:100][cH:99][c:97]1[Br:98])[C:83]2=[C:84]1[CH2:85][CH:86]2[NH:87][CH:88]([CH2:89][CH2:90]2)[CH2:91]1)=[O:102])[CH3:103]>>[C:29]([C:30]([F:31])([F:32])[F:33])([OH:34])=[O:41].[CH2:1]([CH3:2])[N:3]([C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]2[c:18]([cH:19]1)[O:17][c:16]1[c:11]([cH:12][c:13]([F:20])[cH:14][cH:15]1)[C:10]2=[C:21]1[CH2:22][CH:23]2[CH2:24][CH2:25][CH:26]([CH2:27]1)[NH:28]2)[CH2:35][CH3:36]

Participants

5

Reactant 3

HCID 469179409-(8-Aza-bicyclo[3.2.1]oct-3-ylidene)-5-bromo-9H-xanthene-3-carboxylic acid diethylamideHCID 578392497-Fluoro-9-[8-(2,2,2-trifluoro-acetyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-9H-xanthene-3-carboxylic acid diethylamideHCID 578392625-Methoxy-9-[8-(2,2,2-trifluoro-acetyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-9H-xanthene-3-carboxylic acid diethylamide

Product 2

HCID 6422Trifluoroacetic acidHCID 113043189-(8-Aza-bicyclo[3.2.1]oct-3-ylidene)-7-fluoro-9H-xanthene-3-carboxylic acid diethylamide

Sources & evidence

ORD record
ord-c0c5fc22d74942ec9a9c0dc74f6cf496
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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