Hydrochloric Acid → HCID 178439300, compound

HRID 139427Notes

Reaction equation

HRID 139427 reaction equation
[CH2:69]([c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[O:76][NH2:77].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([C:14](=[O:15])[OH:16])[CH:10]([CH2:12][CH3:13])[CH2:11]2)[cH:17][c:18]([CH2:22][CH2:23][CH3:24])[c:19]1[O:20][CH3:21].[CH3:83][CH2:84][O:85][C:86]([CH3:87])=[O:88].[CH:49]([N:50]([CH2:51][CH3:52])[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57].[ClH:68].[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[OH:58][n:59]1[c:60]2[c:61]([cH:62][cH:63][cH:64][cH:65]2)[n:66][n:67]1.[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([C:14](=[O:16])[NH:77][O:76][CH2:69][c:70]3[cH:71][cH:72][cH:73][cH:74][cH:75]3)[CH:10]([CH2:12][CH3:13])[CH2:11]2)[cH:17][c:18]([CH2:22][CH2:23][CH3:24])[c:19]1[O:20][CH3:21]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 102313O-BenzylhydroxylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 68687077HCID 68687077, compound

Product 1

HCID 178439300HCID 178439300, compound

Sources & evidence

ORD record
ord-45bfda71f8cc4b9b84a0b841c22bd7d1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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