Ammonium → HCID 68157481, compound

HRID 2338633Notes

Reaction equation

HRID 2338633 reaction equation
[CH3:1][c:2]1[cH:3][c:4]([O:5][CH:6]([CH2:7][CH2:8][CH3:9])[c:10]2[cH:11][cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18]2)[cH:19][c:20]([CH3:31])[c:21]1-[n:22]1[n:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1.[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[CH:65]([N:66]([CH:67]([CH3:68])[CH3:69])[CH2:70][CH3:71])([CH3:72])[CH3:73].[Cl-:74].[ClH:32].[NH2:33][CH2:34][CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40].[NH4+:75].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[CH3:1][c:2]1[cH:3][c:4]([O:5][CH:6]([CH2:7][CH2:8][CH3:9])[c:10]2[cH:11][cH:12][c:13]([C:14](=[O:16])[NH:33][CH2:34][CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40])[cH:17][cH:18]2)[cH:19][c:20]([CH3:31])[c:21]1-[n:22]1[n:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1

Participants

10

Reactant 9

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 419889Ethyl 3-aminopropanoateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 68156708HCID 68156708, compound

Product 1

HCID 68157481HCID 68157481, compound

Sources & evidence

ORD record
ord-377ac1eabd744ae4b63458360df508fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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