Water → HCID 11554732, compound

HRID 113344Notes

Reaction equation

HRID 113344 reaction equation
[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9](-[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[c:10]([C:19](=[O:20])[OH:21])[c:11]2-[c:12]1[cH:13][n:14][cH:15][c:16]([CH3:18])[cH:17]1.[CH3:28][O:29][c:30]1[cH:31][cH:32][c:33]([CH2:34][NH2:35])[cH:36][cH:37]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:67].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9](-[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[c:10]([C:19](=[O:21])[NH:35][CH2:34][c:33]1[cH:32][cH:31][c:30]([O:29][CH3:28])[cH:37][cH:36]1)[c:11]2-[c:12]1[cH:13][n:14][cH:15][c:16]([CH3:18])[cH:17]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 754524-MethoxybenzylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 11581244HCID 11581244, compound

Product 1

HCID 11554732HCID 11554732, compound

Sources & evidence

ORD record
ord-44c559b660af42569dbb351296051801
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…