N,N-Dimethylglycine → 3-(3-Cyanoindol-1-yl)benzoic acid ethyl ester

HRID 699516Notes

Reaction equation

HRID 699516 reaction equation
[C:24](=[O:25])([O-:26])[O-:27].[CH2:12]([CH3:13])[O:14][C:15]([c:16]1[cH:17][c:18]([I:22])[cH:19][cH:20][cH:21]1)=[O:23].[CH3:30][N:31]([CH3:32])[CH2:33][C:34]([OH:35])=[O:36].[CH3:37][S:38](=[O:39])[CH3:40].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Cs+:28].[Cs+:29].[Cu:41]([I:42])[I:43].[nH:1]1[cH:2][c:3]([C:10]#[N:11])[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[n:1]1(-[c:18]2[cH:17][c:16]([C:15]([O:14][CH2:12][CH3:13])=[O:23])[cH:21][cH:20][cH:19]2)[cH:2][c:3]([C:10]#[N:11])[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12

Participants

9

Reactant 8

HCID 673N,N-DimethylglycineHCID 679Dimethyl SulfoxideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 83717Copper iodideHCID 104967Cesium cation2×HCID 143542Ethyl 3-iodobenzoateHCID 2302823-Cyanoindole

Product 1

HCID 584374173-(3-Cyanoindol-1-yl)benzoic acid ethyl ester

Sources & evidence

ORD record
ord-b7ad8a767faa47c4805f51e7d7f26a77
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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