Ammonium → HCID 58204213, compound

HRID 2344624Notes

Reaction equation

HRID 2344624 reaction equation
[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21](-[c:23]3[cH:24][c:25]([CH2:29][C:30](=[O:31])[OH:32])[cH:26][cH:27][cH:28]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2.[CH:33]([N:36]([CH2:34][CH3:35])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl-:42].[NH4+:43].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21](-[c:23]3[cH:24][c:25]([CH2:29][C:30](=[O:31])[NH2:36])[cH:26][cH:27][cH:28]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 67050618HCID 67050618, compound

Product 1

HCID 58204213HCID 58204213, compound

Sources & evidence

ORD record
ord-d0cdd82a97954d4f9defc3ddd2f2dbfa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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