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Hydrochloric Acid → HCID 178446798, compound

HRID 116889
Notes
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Reaction equation

HRID 116889 reaction equation
[C:59]([O:60][CH:61]([C:62]([CH3:63])([CH3:64])[CH3:65])[CH2:66][n:67]1[n:68][c:69](-[c:72]2[cH:73][cH:74][c:75]([C:78]([F:79])([F:80])[F:81])[cH:76][cH:77]2)[cH:70][cH:71]1)([O:82][c:83]1[cH:84][cH:85][c:86]([N+:87]([O-:88])=[O:89])[cH:90][cH:91]1)=[O:92].[CH3:104][CH2:105][O:106][C:107](=[O:108])[CH3:109].[CH3:99][N:100]([CH3:101])[CH:102]=[O:103].[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[ClH:49].[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]([NH:8][CH2:9][CH:10]([OH:11])[CH:12]([CH2:13][CH2:14][CH2:15][CH3:16])[NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[n:7]1.[F:25][c:26]1[n:27][c:28]([NH:29][CH2:30][CH:31]([CH:32]([NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:41][CH2:42][CH2:43][CH3:44])[OH:45])[cH:46][cH:47][cH:48]1.[O:93]1[CH2:94][CH2:95][O:96][CH2:97][CH2:98]1>>[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]([NH:8][CH2:9][CH:10]([OH:11])[CH:12]([CH2:13][CH2:14][CH2:15][CH3:16])[NH:17][C:59]([O:60][CH:61]([C:62]([CH3:63])([CH3:64])[CH3:65])[CH2:66][n:67]2[n:68][c:69](-[c:72]3[cH:73][cH:74][c:75]([C:78]([F:79])([F:80])[F:81])[cH:76][cH:77]3)[cH:70][cH:71]2)=[O:92])[n:7]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 69512770[3,3-Dimethyl-1-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]butan-2-yl] (4-nitrophenyl) carbonate
HCID 178446759
HCID 178446759, compound
2×

Product 1

HCID 178446798HCID 178446798, compound

Sources & evidence

ORD record
ord-320c6723a8a74733921043e0bcdc0879
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes