Bicarbonate Ion → 1-(2-Diethylaminoethyl)-4-trifluoromethyl-6-[3-(2-oxo-1,3-oxazolin-3-yl)-1-propynyl]-3-hydroxy-3-(2-chlorophenyl)oxindole

HRID 683747Notes

Reaction equation

HRID 683747 reaction equation
[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][N:6]1[C:7](=[O:28])[C:8]([c:20]2[c:21]([Cl:26])[cH:22][cH:23][cH:24][cH:25]2)([OH:27])[c:9]2[c:10]([C:16]([F:17])([F:18])[F:19])[cH:11][c:12]([I:15])[cH:13][c:14]21)[CH2:29][CH3:30].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[Cu:53][I:54].[Na+:45].[O-:41][C:42]([OH:43])=[O:44].[O:31]=[c:32]1[o:33][cH:34][cH:35][n:36]1[CH2:37][C:38]#[CH:39].[OH2:40].[Pd:55]([Cl:56])[Cl:57].[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[cH:91][cH:92][cH:93][cH:94][cH:95]1>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][N:6]1[C:7](=[O:28])[C:8]([c:20]2[c:21]([Cl:26])[cH:22][cH:23][cH:24][cH:25]2)([OH:27])[c:9]2[c:10]([C:16]([F:17])([F:18])[F:19])[cH:11][c:12]([C:39]#[C:38][CH2:37][n:36]3[c:32](=[O:31])[o:33][cH:34][cH:35]3)[cH:13][c:14]21)[CH2:29][CH3:30]

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 119878593-(2-Oxo-1,3-oxazolin-3-yl)-1-propyneHCID 129902161-(2-Diethylaminoethyl)-4-trifluoromethyl-6-iodo-3-hydroxy-3-(2-chlorophenyl)oxindole

Product 1

HCID 185185761-(2-Diethylaminoethyl)-4-trifluoromethyl-6-[3-(2-oxo-1,3-oxazolin-3-yl)-1-propynyl]-3-hydroxy-3-(2-chlorophenyl)oxindole

Sources & evidence

ORD record
ord-647b0488258d4dcd98548ea1f54aadd9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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