Potassium Cation → 5-(3-cyano-5-formylphenyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide

HRID 314360

Reaction equation

HRID 314360 reaction equation
[Br:33][c:34]1[cH:35][c:36]([C:37]#[N:38])[cH:39][c:40]([CH:42]=[O:43])[cH:41]1.[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([c:12]2[cH:13][nH:14][c:15]3[c:16]([C:30](=[O:31])[NH2:32])[cH:17][c:18]([B:21]4[O:22][C:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29]4)[cH:19][c:20]23)[CH2:10][CH2:11]1.[K+:44].[K+:45].[O-:46][C:47]([O-:48])=[O:49].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1>>[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([c:12]2[cH:13][nH:14][c:15]3[c:16]([C:30](=[O:31])[NH2:32])[cH:17][c:18](-[c:34]4[cH:35][c:36]([C:37]#[N:38])[cH:39][c:40]([CH:42]=[O:43])[cH:41]4)[cH:19][c:20]23)[CH2:10][CH2:11]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 534255233-Bromo-5-formylbenzonitrileHCID 598289293-[1-(ethylsulfonyl)-4-piperidinyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-7-carboxamide

Product 1

HCID 866310245-(3-cyano-5-formylphenyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide

Sources & evidence

ORD record
ord-ec76701e64634f4cafbef83202c36f22
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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