Water → HCID 57662956, compound

HRID 302147Notes

Reaction equation

HRID 302147 reaction equation
[CH3:30][c:31]1[cH:32][cH:33][cH:34][c:35]([CH3:36])[c:37]1[NH2:38].[CH3:73][C:74]([N:75]([CH3:76])[CH3:77])=[O:78].[CH:63]([N:64]([CH2:65][CH3:66])[CH:67]([CH3:68])[CH3:69])([CH3:70])[CH3:71].[OH2:72].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1.[nH:1]1[cH:2][cH:3][c:4]2[cH:5][c:6](-[c:10]3[n:11][c:12]([NH:20][c:21]4[cH:22][cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]4)[n:13][c:14]4[cH:15][cH:16][cH:17][cH:18][c:19]34)[cH:7][cH:8][c:9]12>>[nH:1]1[cH:2][cH:3][c:4]2[cH:5][c:6](-[c:10]3[n:11][c:12]([NH:20][c:21]4[cH:22][cH:23][c:24]([C:25](=[O:26])[NH:38][c:37]5[c:31]([CH3:30])[cH:32][cH:33][cH:34][c:35]5[CH3:36])[cH:28][cH:29]4)[n:13][c:14]4[cH:15][cH:16][cH:17][cH:18][c:19]34)[cH:7][cH:8][c:9]12

Participants

8

Reactant 7

HCID 962WaterHCID 68962,6-DimethylanilineHCID 9886HexafluorophosphateHCID 31374DimethylacetamideHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57663028HCID 57663028, compound

Product 1

HCID 57662956HCID 57662956, compound

Sources & evidence

ORD record
ord-57cb425f7a38454788df45ddce13e0a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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