Water → HCID 59149726, compound

HRID 297831Notes

Reaction equation

HRID 297831 reaction equation
[CH3:41][O:42][CH2:43][CH2:44][NH:45][CH3:46].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:76].[OH:10][C:11]1([c:30]2[cH:31][cH:32][c:33]([O:34][CH2:35][C:36](=[O:37])[OH:38])[cH:39][cH:40]2)[CH2:12][CH2:13][N:14]([c:17]2[cH:18][cH:19][c:20]3[n:21]([n:22]2)[c:23]([C:26]([F:27])([F:28])[F:29])[n:24][n:25]3)[CH2:15][CH2:16]1.[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[n:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[OH:10][C:11]1([c:30]2[cH:31][cH:32][c:33]([O:34][CH2:35][C:36](=[O:37])[N:45]([CH2:44][CH2:43][O:42][CH3:41])[CH3:46])[cH:39][cH:40]2)[CH2:12][CH2:13][N:14]([c:17]2[cH:18][cH:19][c:20]3[n:21]([n:22]2)[c:23]([C:26]([F:27])([F:28])[F:29])[n:24][n:25]3)[CH2:15][CH2:16]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 300977(2-Methoxyethyl)(methyl)amineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 67339395HCID 67339395, compound

Product 1

HCID 59149726HCID 59149726, compound

Sources & evidence

ORD record
ord-47a6654e1e02409e9d262ee7c03b8cab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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