Water → HCID 178522149, compound

HRID 181366Notes

Reaction equation

HRID 181366 reaction equation
[CH2:41]([P:42]([OH:43])([OH:44])=[O:45])[CH2:46][CH3:47].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:48][N:49]([c:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1)[CH3:56].[CH3:62][CH2:63][O:64][C:65]([CH3:66])=[O:67].[F:22][c:23]1[c:24]([C:30]([F:31])([F:32])[F:33])[cH:25][c:26]([NH2:27])[cH:28][cH:29]1.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:68].[OH:1][c:2]1[cH:3][c:4]([CH2:8][c:9]2[cH:10][c:11]3[cH:12][cH:13][cH:14][c:15]([C:19](=[O:20])[OH:21])[c:16]3[cH:17][cH:18]2)[n:5][cH:6][n:7]1>>[OH:1][c:2]1[cH:3][c:4]([CH2:8][c:9]2[cH:10][c:11]3[cH:12][cH:13][cH:14][c:15]([C:19](=[O:20])[NH:27][c:26]4[cH:25][c:24]([C:30]([F:31])([F:32])[F:33])[c:23]([F:22])[cH:29][cH:28]4)[c:16]3[cH:17][cH:18]2)[n:5][cH:6][n:7]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 753774-Fluoro-3-(trifluoromethyl)anilineHCID 204484Propylphosphonic acidHCID 178524206HCID 178524206, compound

Product 1

HCID 178522149HCID 178522149, compound

Sources & evidence

ORD record
ord-ca265a08b1f742bcb2cbc87242cf65ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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