Hydrochloric Acid → HCID 178454926, compound

HRID 1214092Notes

Reaction equation

HRID 1214092 reaction equation
[CH3:97][OH:98].[CH:83]([N:84]([CH2:85][CH3:86])[CH:87]([CH3:88])[CH3:89])([CH3:90])[CH3:91].[ClH:58].[NH2:41][C:42]1([C:49](=[O:50])[NH:51][S:52](=[O:53])(=[O:54])[CH:55]2[CH2:56][CH2:57]2)[CH:43]([CH:45]=[C:46]([F:47])[F:48])[CH2:44]1.[O:92]=[CH:93][N:94]([CH3:95])[CH3:96].[P-:59]([F:60])([F:61])([F:62])([F:63])([F:64])[F:65].[c:1]1(-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:2][cH:3][c:4]([C:7]2([S:30][CH2:31][CH2:32][CH2:33][CH3:34])[CH2:8][CH:9]([C:27](=[O:28])[OH:29])[N:10]([C:12]([CH:13]([C:14]([CH3:15])([CH3:16])[CH3:17])[NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:11]2)[cH:5][cH:6]1.[n:66]1([O:67][C:68]([N:69]([CH3:70])[CH3:71])=[N+:72]([CH3:73])[CH3:74])[c:75]2[n:76][cH:77][cH:78][cH:79][c:80]2[n:81][n:82]1>>[c:1]1(-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:2][cH:3][c:4]([C:7]2([S:30][CH2:31][CH2:32][CH2:33][CH3:34])[CH2:8][CH:9]([C:27](=[O:28])[NH:41][C:42]3([C:49](=[O:50])[NH:51][S:52](=[O:53])(=[O:54])[CH:55]4[CH2:56][CH2:57]4)[CH:43]([CH:45]=[C:46]([F:47])[F:48])[CH2:44]3)[N:10]([C:12]([CH:13]([C:14]([CH3:15])([CH3:16])[CH3:17])[NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:11]2)[cH:5][cH:6]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178454930HCID 178454930, compoundHCID 178508114HCID 178508114, compound

Product 1

HCID 178454926HCID 178454926, compound

Sources & evidence

ORD record
ord-6a2761fa74f44c00b7ce9e12ce53e43c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…