Hydrochloric Acid → HCID 178457278, compound

HRID 2144623Notes

Reaction equation

HRID 2144623 reaction equation
[CH2:1]([CH2:2][CH3:3])[N:4]([C:5](=[O:6])[c:7]1[cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][c:14](-[c:16]2[s:17][cH:18][cH:19][n:20]2)[cH:15]1)[CH2:21][CH2:22][CH3:23].[CH:24]([N:25]([CH:26]([CH3:27])[CH3:28])[CH2:29][CH3:30])([CH3:31])[CH3:32].[ClH:57].[ClH:58].[NH2:59][CH:60]([CH:61]([CH2:62][NH:63][CH2:64][c:65]1[cH:66][c:67]([CH:71]([CH3:72])[CH3:73])[cH:68][cH:69][cH:70]1)[OH:74])[CH2:75][c:76]1[cH:77][c:78]([F:83])[cH:79][c:80]([F:82])[cH:81]1.[O:84]=[CH:85][N:86]([CH3:87])[CH3:88].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH2:1]([CH2:2][CH3:3])[N:4]([C:5](=[O:6])[c:7]1[cH:8][c:9]([C:10](=[O:11])[NH:59][CH:60]([CH:61]([CH2:62][NH:63][CH2:64][c:65]2[cH:66][c:67]([CH:71]([CH3:72])[CH3:73])[cH:68][cH:69][cH:70]2)[OH:74])[CH2:75][c:76]2[cH:77][c:78]([F:83])[cH:79][c:80]([F:82])[cH:81]2)[cH:13][c:14](-[c:16]2[s:17][cH:18][cH:19][n:20]2)[cH:15]1)[CH2:21][CH2:22][CH3:23]

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 210857833-[(Dipropylamino)carbonyl]-5-(1,3-thiazol-2-yl)benzoic AcidHCID 178439089HCID 178439089, compound

Product 1

HCID 178457278HCID 178457278, compound

Sources & evidence

ORD record
ord-a89d5250f4ef443690b1168b033c86c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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