Carbonate Ion → 1,2-Dimethyl-6-[2-(pyrrolidine-1-carbonyl)-thieno[3,2-b]pyridin-7-yloxy]-1H-indole-3-carboxylic acid (3-hydroxy-propyl)-amide

HRID 203661Notes

Reaction equation

HRID 203661 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[cH:8][c:9]([C:11](=[O:12])[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1)[s:10]2.[Cs+:41].[Cs+:42].[OH:18][CH2:19][CH2:20][CH2:21][NH:22][C:23](=[O:24])[c:25]1[c:26]([CH3:36])[n:27]([CH3:35])[c:28]2[cH:29][c:30]([OH:34])[cH:31][cH:32][c:33]12>>[c:2]1([O:34][c:30]2[cH:29][c:28]3[n:27]([CH3:35])[c:26]([CH3:36])[c:25]([C:23]([NH:22][CH2:21][CH2:20][CH2:19][OH:18])=[O:24])[c:33]3[cH:32][cH:31]2)[c:3]2[c:4]([n:5][cH:6][cH:7]1)[cH:8][c:9]([C:11](=[O:12])[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1)[s:10]2

Participants

5

Reactant 4

HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 11173165(7-Chlorothieno[3,2-b]pyridin-2-yl)(pyrrolidin-1-yl)methanoneHCID 207678646-Hydroxy-1,2-dimethyl-1H-indole-3-carboxylic acid (3-hydroxy-propyl)-amide

Product 1

HCID 207678961,2-Dimethyl-6-[2-(pyrrolidine-1-carbonyl)-thieno[3,2-b]pyridin-7-yloxy]-1H-indole-3-carboxylic acid (3-hydroxy-propyl)-amide

Sources & evidence

ORD record
ord-b91d444d00e34bea822fbc851ed43b1f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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