Water → (+/-)-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-[2-hydroxy-2-[4-(trifluoromethoxy)-phenyl]ethyl]-5-methyl-3H-1,2,4-triazol-3-one

HRID 87118Notes

Reaction equation

HRID 87118 reaction equation
[CH3:1][C:2]([Si:3]([CH3:4])([CH3:5])[O:6][c:7]1[cH:8][cH:9][c:10]([N:13]2[CH2:14][CH2:15][N:16]([c:19]3[cH:20][cH:21][c:22](-[n:25]4[c:26](=[O:45])[n:27]([CH2:31][CH:32]([c:33]5[cH:34][cH:35][c:36]([O:39][C:40]([F:41])([F:42])[F:43])[cH:37][cH:38]5)[OH:44])[n:28][c:29]4[CH3:30])[cH:23][cH:24]3)[CH2:17][CH2:18]2)[cH:11][cH:12]1)([CH3:46])[CH3:47].[CH3:49][CH2:50][CH2:51][CH2:52][N+:53]([CH2:54][CH2:55][CH2:56][CH3:57])([CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH2:64][CH3:65].[Cl:72][CH2:73][Cl:74].[F-:48].[O:66]1[CH2:67][CH2:68][CH2:69][CH2:70]1.[OH2:71]>>[OH:6][c:7]1[cH:8][cH:9][c:10]([N:13]2[CH2:14][CH2:15][N:16]([c:19]3[cH:20][cH:21][c:22](-[n:25]4[c:26](=[O:45])[n:27]([CH2:31][CH:32]([c:33]5[cH:34][cH:35][c:36]([O:39][C:40]([F:41])([F:42])[F:43])[cH:37][cH:38]5)[OH:44])[n:28][c:29]4[CH3:30])[cH:23][cH:24]3)[CH2:17][CH2:18]2)[cH:11][cH:12]1

Participants

7

Reactant 6

HCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 19032415(+/-)-4-[4-[4-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-3H-1,2,4-triazol-3-one

Product 1

HCID 19032431(+/-)-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-[2-hydroxy-2-[4-(trifluoromethoxy)-phenyl]ethyl]-5-methyl-3H-1,2,4-triazol-3-one

Sources & evidence

ORD record
ord-c2ef16098c184764a402c9aafd3fa264
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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