Hydrochloric Acid → HCID 178436282, compound

HRID 1121858Notes

Reaction equation

HRID 1121858 reaction equation
[C:1]([c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][cH:10]1)(=[O:11])[O:12][CH3:13].[CH:14]([N:15]([CH:16]([CH3:17])[CH3:18])[CH2:19][CH3:20])([CH3:21])[CH3:22].[CH:78]([Cl:79])([Cl:80])[Cl:81].[ClH:47].[ClH:48].[NH2:49][CH:50]([CH:51]([CH2:52][NH:53][CH2:54][c:55]1[cH:56][c:57]([CH2:61][CH3:62])[cH:58][cH:59][cH:60]1)[OH:63])[CH2:64][c:65]1[cH:66][c:67]([F:72])[cH:68][c:69]([F:71])[cH:70]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[P-:23]([F:24])([F:25])([F:26])([F:27])([F:28])[F:29].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[n:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[C:1]([c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:49][CH:50]([CH:51]([CH2:52][NH:53][CH2:54][c:55]2[cH:56][c:57]([CH2:61][CH3:62])[cH:58][cH:59][cH:60]2)[OH:63])[CH2:64][c:65]2[cH:66][c:67]([F:72])[cH:68][c:69]([F:71])[cH:70]2)[cH:8][cH:9][cH:10]1)(=[O:11])[O:12][CH3:13]

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 6212ChloroformHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 6018803-(Methoxycarbonyl)benzoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 218657313-Amino-4-(3,5-difluoro-phenyl)-1-(3-ethyl-benzylamino)-butan-2-ol

Product 1

HCID 178436282HCID 178436282, compound

Sources & evidence

ORD record
ord-f6b1bfea507b42119c2ee29c78d488df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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