Water → HCID 74372816, compound

HRID 1231539Notes

Reaction equation

HRID 1231539 reaction equation
[CH3:1][c:2]1[cH:3][c:4]([C:7](=[O:8])[OH:9])[n:5][o:6]1.[CH3:69][CH2:70][O:71][C:72]([CH3:73])=[O:74].[CH:10]([N:11]([CH:12]([CH3:13])[CH3:14])[CH2:15][CH3:16])([CH3:17])[CH3:18].[Cl:19][c:20]1[c:21]([NH2:38])[cH:22][c:23]([CH:26]([CH3:27])[NH:28][CH:29]([CH3:30])[c:31]2[cH:32][c:33]([Cl:37])[cH:34][cH:35][cH:36]2)[cH:24][cH:25]1.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH2:68].[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>>[CH3:1][c:2]1[cH:3][c:4]([C:7](=[O:9])[NH:38][c:21]2[c:20]([Cl:19])[cH:25][cH:24][c:23]([CH:26]([CH3:27])[NH:28][CH:29]([CH3:30])[c:31]3[cH:32][c:33]([Cl:37])[cH:34][cH:35][cH:36]3)[cH:22]2)[n:5][o:6]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 769473-Methyl-5-isoxazolecarboxylic acidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 72566162HCID 72566162, compound

Product 1

HCID 74372816HCID 74372816, compound

Sources & evidence

ORD record
ord-979252a6aa2146c889480d0b03ec89b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…