Water → HCID 50939245, compound

HRID 669293Notes

Reaction equation

HRID 669293 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][CH2:6][c:7]1[c:8](-[c:29]2[s:30][cH:31][cH:32][cH:33]2)[c:9]2[n:10]([c:25]1[C:26](=[O:27])[OH:28])[CH2:11][CH2:12][c:13]1[cH:14][c:15]([O:23][CH3:24])[c:16]([O:19][CH:20]([CH3:21])[CH3:22])[cH:17][c:18]1-2.[CH2:67]1[O:68][CH2:69][CH2:70][CH2:71]1.[CH3:72][N:73]1[CH2:74][CH2:75][CH2:76][C:77]1=[O:78].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[OH2:79].[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[n:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[CH2:6][c:7]2[c:8](-[c:29]3[s:30][cH:31][cH:32][cH:33]3)[c:9]3[n:10]([c:25]2[C:26]1=[O:28])[CH2:11][CH2:12][c:13]1[cH:14][c:15]([O:23][CH3:24])[c:16]([O:19][CH:20]([CH3:21])[CH3:22])[cH:17][c:18]1-3

Participants

8

Reactant 7

HCID 962WaterHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58124808HCID 58124808, compound

Product 1

HCID 50939245HCID 50939245, compound

Sources & evidence

ORD record
ord-d72d5af22fc34e049d13d0efaf6e7e28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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