Ethyl Acetate → HCID 16678993, compound

HRID 2331834Notes

Reaction equation

HRID 2331834 reaction equation
[CH3:73][CH2:74][O:75][C:76]([CH3:77])=[O:78].[CH:64]([N:65]([CH2:66][CH3:67])[CH:68]([CH3:69])[CH3:70])([CH3:71])[CH3:72].[Cl:16][c:17]1[c:18]([C:27]([F:28])([F:29])[F:30])[n:19][n:20]([CH2:23][C:24](=[O:25])[OH:26])[c:21]1[CH3:22].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][C:7]2([OH:13])[CH2:8][CH2:9][NH:10][CH2:11][CH2:12]2)[cH:14][cH:15]1.[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][P+:40]([N:41]2[CH2:42][CH2:43][CH2:44][CH2:45]2)([N:46]2[CH2:47][CH2:48][CH2:49][CH2:50]2)[N:51]2[CH2:52][CH2:53][CH2:54][CH2:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][C:7]2([OH:13])[CH2:8][CH2:9][N:10]([C:24]([CH2:23][n:20]3[n:19][c:18]([C:27]([F:28])([F:29])[F:30])[c:17]([Cl:16])[c:21]3[CH3:22])=[O:25])[CH2:11][CH2:12]2)[cH:14][cH:15]1

Participants

7

Reactant 6

HCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 1876853(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acidHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 104886244-[(4-Fluorophenyl)methyl]piperidin-4-ol

Product 1

HCID 16678993HCID 16678993, compound

Sources & evidence

ORD record
ord-cbf39209eabf4ae18a7c58a38d6c5a9d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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