Water → HCID 10309477, compound

HRID 2331396Notes

Reaction equation

HRID 2331396 reaction equation
[CH2:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH:40]([CH3:41])[CH3:42])[CH3:43].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:44][O:45][c:46]1[cH:47][cH:48][c:49]([CH:56]2[CH2:57][CH2:58][O:59][CH2:60][CH2:61]2)[c:50]2[c:51]1[n:52][c:53]([NH2:55])[s:54]2.[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[O:67]1[CH2:68][CH2:69][O:70][CH2:71][CH2:72]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH2:78].[P-:11]([F:12])([F:13])([F:14])([F:15])([F:16])[F:17].[n:18]1([O:19][C:20]([N:21]([CH3:22])[CH3:23])=[N+:24]([CH3:25])[CH3:26])[c:27]2[n:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:8])[NH:55][c:53]2[n:52][c:51]3[c:46]([O:45][CH3:44])[cH:47][cH:48][c:49]([CH:56]4[CH2:57][CH2:58][O:59][CH2:60][CH2:61]4)[c:50]3[s:54]2)[cH:9][cH:10]1

Participants

10

Reactant 9

HCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 99734-Fluorobenzoic AcidHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 220157354-Methoxy-7-(tetrahydro-pyran-4-yl)-benzothiazol-2-yl-amine

Product 1

HCID 10309477HCID 10309477, compound

Sources & evidence

ORD record
ord-038ea2b14fd3493fb5fca3a64cee86b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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