Water → HCID 68779554, compound

HRID 1150005Notes

Reaction equation

HRID 1150005 reaction equation
[CH3:1][CH:2]1[CH2:3][N:4]([S:8](=[O:9])(=[O:10])[c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[CH2:5][CH2:6][NH:7]1.[CH:68]([N:69]([CH2:70][CH3:71])[CH:72]([CH3:73])[CH3:74])([CH3:75])[CH3:76].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH2:43].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1.[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:21]1[cH:22][c:23]([C:30](=[O:31])[OH:32])[c:24]2[n:25]1[cH:26][cH:27][cH:28][n:29]2.[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[cH:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[CH3:1][CH:2]1[CH2:3][N:4]([S:8](=[O:9])(=[O:10])[c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[CH2:5][CH2:6][N:7]1[C:30]([c:23]1[cH:22][n:21][n:25]2[c:24]1[n:29][cH:28][cH:27][cH:26]2)=[O:31]

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 1910189Pyrazolo[1,5-a]pyrimidine-3-carboxylic acidHCID 654490013-Methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine

Product 1

HCID 68779554HCID 68779554, compound

Sources & evidence

ORD record
ord-0f32959c472d400c90c6e0dda4e363ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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