Ammonia → 3-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-1H-indole-2-carboxylic acid amide

HRID 1570865Notes

Reaction equation

HRID 1570865 reaction equation
[CH2:42]([Cl:43])[Cl:44].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[nH:6][c:7]2[cH:8][c:9]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:10][cH:11][c:12]2[c:13]1[S:14][c:15]1[c:16]([F:22])[cH:17][c:18]([F:21])[cH:19][cH:20]1.[Cl:29][C:30]([C:31]([Cl:32])=[O:33])=[O:34].[Li+:28].[NH3:35].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH-:27].[OH2:56].[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[O:2]=[C:3]([c:5]1[nH:6][c:7]2[cH:8][c:9]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:10][cH:11][c:12]2[c:13]1[S:14][c:15]1[c:16]([F:22])[cH:17][c:18]([F:21])[cH:19][cH:20]1)[NH2:35]

Participants

12

Reactant 11

HCID 222AmmoniaHCID 241BenzeneHCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 65578Oxalyl chlorideHCID 114180743-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-1H-indole-2-carboxylic acid methyl ester

Product 1

HCID 113724713-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-1H-indole-2-carboxylic acid amide

Sources & evidence

ORD record
ord-6dd9ec7f2115480ebea0da6c5ab4e067
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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