Water → HCID 86660011, compound

HRID 1148783Notes

Reaction equation

HRID 1148783 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6]([C:18]([CH3:19])([CH3:20])[CH3:21])[c:7](-[c:9]3[c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15][cH:16][cH:17]3)[n:8]2)[cH:22][cH:23]1.[C:48]([NH:49][NH2:50])(=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56].[CH3:71][CH2:72][O:73][C:74]([CH3:75])=[O:76].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:77].[P-:24]([F:25])([F:26])([F:27])([F:28])([F:29])[F:30].[n:31]1([O:32][C:33]([N:34]([CH3:35])[CH3:36])=[N+:37]([CH3:38])[CH3:39])[c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6]([C:18]([CH3:19])([CH3:20])[CH3:21])[c:7](-[c:9]3[c:10]([C:11](=[O:12])[N:49]([C:48](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[NH2:50])[cH:14][cH:15][cH:16][cH:17]3)[n:8]2)[cH:22][cH:23]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 70091tert-Butyl carbazateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58542046HCID 58542046, compound

Product 1

HCID 86660011HCID 86660011, compound

Sources & evidence

ORD record
ord-ac13c3491c484d48a79969c702211f7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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