Water → Convergence

HRID 1547837Notes

Reaction equation

HRID 1547837 reaction equation
[CH:67]([N:68]([CH2:69][CH3:70])[CH:71]([CH3:72])[CH3:73])([CH3:74])[CH3:75].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[N:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[cH:7][cH:8]1)([F:18])[F:19].[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH2:42].[OH:32][n:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[n:40][n:41]1.[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[n:20]1[cH:21][c:22]([C:29](=[O:30])[OH:31])[c:23]2[n:24]1[cH:25][cH:26][cH:27][n:28]2.[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[N:12]2[CH2:13][CH2:14][N:15]([C:29]([c:22]3[cH:21][n:20][n:24]4[c:23]3[n:28][cH:27][cH:26][cH:25]4)=[O:30])[CH2:16][CH2:17]2)[cH:7][cH:8]1)([F:18])[F:19]

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 1910189Pyrazolo[1,5-a]pyrimidine-3-carboxylic acidHCID 25545781-[4-(Trifluoromethyl)benzenesulfonyl]piperazine

Product 1

HCID 59152103Convergence

Sources & evidence

ORD record
ord-b117a6590b294b03932c7292ba97ade0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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