Hydrochloric Acid → HCID 178449106, compound

HRID 2344581Notes

Reaction equation

HRID 2344581 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]([C:6](=[O:7])[c:8]1[cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][c:15](-[c:17]2[o:18][cH:19][cH:20][n:21]2)[cH:16]1)[CH3:22].[CH:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH2:28][CH3:29])([CH3:30])[CH3:31].[CH:87]([Cl:88])([Cl:89])[Cl:90].[ClH:56].[ClH:57].[NH2:58][CH:59]([CH:60]([CH2:61][NH:62][CH2:63][c:64]1[cH:65][c:66]([CH2:70][CH3:71])[cH:67][cH:68][cH:69]1)[OH:72])[CH2:73][c:74]1[cH:75][c:76]([F:81])[cH:77][c:78]([F:80])[cH:79]1.[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]([C:6](=[O:7])[c:8]1[cH:9][c:10]([C:11](=[O:13])[NH:58][CH:59]([CH:60]([CH2:61][NH:62][CH2:63][c:64]2[cH:65][c:66]([CH2:70][CH3:71])[cH:67][cH:68][cH:69]2)[OH:72])[CH2:73][c:74]2[cH:75][c:76]([F:81])[cH:77][c:78]([F:80])[cH:79]2)[cH:14][c:15](-[c:17]2[o:18][cH:19][cH:20][n:21]2)[cH:16]1)[CH3:22]

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 6212ChloroformHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 210857323-{[Butyl(methyl)amino]carbonyl}-5-(1,3-oxazol-2-yl)benzoic AcidHCID 218657313-Amino-4-(3,5-difluoro-phenyl)-1-(3-ethyl-benzylamino)-butan-2-ol

Product 1

HCID 178449106HCID 178449106, compound

Sources & evidence

ORD record
ord-1770c70f64f144f49d279a0ccbfdc1b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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