Water → HCID 178495505, compound

HRID 313487Notes

Reaction equation

HRID 313487 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][c:18]([Cl:38])[c:19]([O:22][c:23]3[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][c:30]([O:32][CH:33]([CH2:34][O:35][CH3:36])[CH3:37])[cH:31]3)[n:20][cH:21]2)[CH2:11][CH2:12][CH2:13]1.[NH2:63][c:64]1[s:65][cH:66][cH:67][n:68]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:74].[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>>[N:10]1([C:14](=[O:15])[c:16]2[cH:17][c:18]([Cl:38])[c:19]([O:22][c:23]3[cH:24][c:25]([C:26](=[O:27])[NH:63][c:64]4[s:65][cH:66][cH:67][n:68]4)[cH:29][c:30]([O:32][CH:33]([CH2:34][O:35][CH3:36])[CH3:37])[cH:31]3)[n:20][cH:21]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 178495506HCID 178495506, compound

Product 1

HCID 178495505HCID 178495505, compound

Sources & evidence

ORD record
ord-258309e4a69640d89b5746430e2c5b9a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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