Water → HCID 67406687, compound

HRID 192550Notes

Reaction equation

HRID 192550 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][c:11]([S:15][c:16]2[cH:17][c:18]3[cH:19][cH:20][cH:21][c:22]([C:26](=[O:27])[OH:28])[c:23]3[cH:24][cH:25]2)[n:12][cH:13][n:14]1.[CH2:48]([P:49]([OH:50])([OH:51])=[O:52])[CH2:53][CH3:54].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:60][N:61]([c:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1)[CH3:68].[CH3:69][CH2:70][O:71][C:72]([CH3:73])=[O:74].[F:29][c:30]1[c:31]([C:37]([F:38])([F:39])[F:40])[cH:32][c:33]([NH2:34])[cH:35][cH:36]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:75]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][c:11]([S:15][c:16]2[cH:17][c:18]3[cH:19][cH:20][cH:21][c:22]([C:26](=[O:27])[NH:34][c:33]4[cH:32][c:31]([C:37]([F:38])([F:39])[F:40])[c:30]([F:29])[cH:36][cH:35]4)[c:23]3[cH:24][cH:25]2)[n:12][cH:13][n:14]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 753774-Fluoro-3-(trifluoromethyl)anilineHCID 204484Propylphosphonic acidHCID 67405667HCID 67405667, compound

Product 1

HCID 67406687HCID 67406687, compound

Sources & evidence

ORD record
ord-ce5af256e5e143fdb83792f1483228f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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