Water → HCID 57335332, compound

HRID 2156843Notes

Reaction equation

HRID 2156843 reaction equation
[CH3:1][N:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][C:12]([NH:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[n:21][c:22]4[cH:23][c:24](-[c:36]5[cH:37][cH:38][c:39]([C:41](=[O:42])[OH:43])[o:40]5)[cH:25][cH:26][c:27]4[c:28]([N:30]4[CH2:31][CH2:32][O:33][CH2:34][CH2:35]4)[n:29]3)[cH:18][cH:19]2)=[O:44])[cH:9][cH:10]1)[CH3:45].[CH3:46][N:47]1[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]1.[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[OH2:77].[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:60]1([O:61][C:62]([N:63]([CH3:64])[CH3:65])=[N+:66]([CH3:67])[CH3:68])[c:69]2[n:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[CH3:1][N:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][C:12]([NH:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[n:21][c:22]4[cH:23][c:24](-[c:36]5[cH:37][cH:38][c:39]([C:41](=[O:42])[N:50]6[CH2:49][CH2:48][N:47]([CH3:46])[CH2:52][CH2:51]6)[o:40]5)[cH:25][cH:26][c:27]4[c:28]([N:30]4[CH2:31][CH2:32][O:33][CH2:34][CH2:35]4)[n:29]3)[cH:18][cH:19]2)=[O:44])[cH:9][cH:10]1)[CH3:45]

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 531671-MethylpiperazineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57335331HCID 57335331, compound

Product 1

HCID 57335332HCID 57335332, compound

Sources & evidence

ORD record
ord-9f2ecbd75c044b06a70f458015689db9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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