Water → HCID 68779800, compound

HRID 2314224Notes

Reaction equation

HRID 2314224 reaction equation
[CH3:67][C:68]#[N:69].[NH2:45][c:46]1[c:47]([NH:53][C:54]([O:55][C:56]([CH3:57])([CH3:58])[CH3:59])=[O:60])[cH:48][cH:49][c:50]([F:52])[cH:51]1.[O:1]=[C:2]1[N:3]([CH:7]([C:8](=[O:9])[NH:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][cH:19]2)[CH3:20])[CH2:4][CH2:5][CH2:6]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH2:66].[P-:21]([F:22])([F:23])([F:24])([F:25])([F:26])[F:27].[n:28]1([O:29][C:30]([N:31]([CH3:32])[CH3:33])=[N+:34]([CH3:35])[CH3:36])[c:37]2[n:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[O:1]=[C:2]1[N:3]([CH:7]([C:8](=[O:9])[NH:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:17])[NH:45][c:46]3[c:47]([NH:53][C:54]([O:55][C:56]([CH3:57])([CH3:58])[CH3:59])=[O:60])[cH:48][cH:49][c:50]([F:52])[cH:51]3)[cH:18][cH:19]2)[CH3:20])[CH2:4][CH2:5][CH2:6]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 24688763N1-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamineHCID 68776068HCID 68776068, compound

Product 1

HCID 68779800HCID 68779800, compound

Sources & evidence

ORD record
ord-a806e813d6b84c289a277dd9a345aac0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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