Water → HCID 178460640, compound

HRID 1116466Notes

Reaction equation

HRID 1116466 reaction equation
[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[N:10]1([C:14](=[O:15])[c:16]2[cH:17][cH:18][c:19]([O:20][c:21]3[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][c:28]([O:30][CH:31]([CH2:32][O:33][Si:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[CH3:40])[CH3:41])[cH:29]3)[cH:42][cH:43]2)[CH2:11][CH2:12][CH2:13]1.[NH2:68][c:69]1[s:70][cH:71][cH:72][n:73]1.[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[OH2:79].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[N:10]1([C:14](=[O:15])[c:16]2[cH:17][cH:18][c:19]([O:20][c:21]3[cH:22][c:23]([C:24](=[O:25])[NH:68][c:69]4[s:70][cH:71][cH:72][n:73]4)[cH:27][c:28]([O:30][CH:31]([CH2:32][O:33][Si:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[CH3:40])[CH3:41])[cH:29]3)[cH:42][cH:43]2)[CH2:11][CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 962WaterHCID 21552-AminothiazoleHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178460641HCID 178460641, compound

Product 1

HCID 178460640HCID 178460640, compound

Sources & evidence

ORD record
ord-493954ff9ddf45deb45e7a0ca5dff8aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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