Water → HCID 178460625, compound

HRID 1126622Notes

Reaction equation

HRID 1126622 reaction equation
[CH2:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[O:17][c:18]1[cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:24][c:25]([O:27][CH:28]([CH2:29][O:30][Si:31]([CH:32]([CH3:33])[CH3:34])([CH:35]([CH3:36])[CH3:37])[CH:38]([CH3:39])[CH3:40])[CH3:41])[cH:26]1.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[NH2:66][c:67]1[n:68][n:69]([C:72](=[O:73])[O:74][C:75]([CH3:76])([CH3:77])[CH3:78])[cH:70][cH:71]1.[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[OH2:84].[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[n:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[CH2:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[O:17][c:18]1[cH:19][c:20]([C:21](=[O:22])[NH:66][c:67]2[n:68][n:69]([C:72](=[O:73])[O:74][C:75]([CH3:76])([CH3:77])[CH3:78])[cH:70][cH:71]2)[cH:24][c:25]([O:27][CH:28]([CH2:29][O:30][Si:31]([CH:32]([CH3:33])[CH3:34])([CH:35]([CH3:36])[CH3:37])[CH:38]([CH3:39])[CH3:40])[CH3:41])[cH:26]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 51358380tert-Butyl 3-amino-1H-pyrazole-1-carboxylateHCID 178460626HCID 178460626, compound

Product 1

HCID 178460625HCID 178460625, compound

Sources & evidence

ORD record
ord-dc3c0bfdb06a40c3a8aee9d7b3c3d0bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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