Hydrochloric Acid → HCID 178466029, compound

HRID 108682Notes

Reaction equation

HRID 108682 reaction equation
[CH3:39][O:40][C:41](=[O:42])[NH:43][CH:44]([C:45](=[O:46])[OH:47])[CH:48]([CH3:49])[CH3:50].[CH3:87][OH:88].[CH:75]([N:76]([CH2:77][CH3:78])[CH:79]([CH3:80])[CH3:81])([CH3:82])[CH3:83].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7]1)[CH2:8][O:9][c:10]1[c:11]-2[cH:12][c:13]2[cH:14][cH:15][c:16]3[c:17]([nH:18][c:19]([CH:21]4[N:22]([C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:23][CH:24]([O:26][CH2:27][CH3:28])[CH2:25]4)[n:20]3)[c:36]2[cH:37]1.[Cl:84][CH2:85][Cl:86].[ClH:38].[P-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57].[n:58]1([O:59][C:60]([N:61]([CH3:62])[CH3:63])=[N+:64]([CH3:65])[CH3:66])[c:67]2[n:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7]1)[CH2:8][O:9][c:10]1[c:11]-2[cH:12][c:13]2[cH:14][cH:15][c:16]3[c:17]([nH:18][c:19]([CH:21]4[N:22]([C:45]([CH:44]([NH:43][C:41]([O:40][CH3:39])=[O:42])[CH:48]([CH3:49])[CH3:50])=[O:46])[CH2:23][CH:24]([O:26][CH2:27][CH3:28])[CH2:25]4)[n:20]3)[c:36]2[cH:37]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 138211012-((Methoxycarbonyl)amino)-3-methylbutanoic acidHCID 178466030HCID 178466030, compound

Product 1

HCID 178466029HCID 178466029, compound

Sources & evidence

ORD record
ord-f61550d328fc4e88a58446bad5f19571
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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