Sodium ion → N-[2-(5,6-dimethoxy-1-methyl-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyrid-4-ylmethyl]-4-trifluoromethoxybenzenesulfonamide

HRID 1151952Notes

Reaction equation

HRID 1151952 reaction equation
[CH3:12][O:13][c:14]1[cH:15][c:16]([O:56][CH3:57])[cH:58][cH:59][c:60]1[CH2:61][N:17]([S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][c:24]([O:27][C:28]([F:29])([F:30])[F:31])[cH:25][cH:26]1)[CH2:32][c:33]1[c:34]2[c:35]([n:36][cH:37][cH:38]1)[nH:39][c:40](-[c:42]1[cH:43][n:44]([CH3:55])[c:45]3[cH:46][c:47]([O:53][CH3:54])[c:48]([O:51][CH3:52])[cH:49][c:50]13)[cH:41]2.[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[Cl:64][CH2:65][Cl:66].[Na+:63].[OH-:62].[OH2:74].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[NH:17]([S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][c:24]([O:27][C:28]([F:29])([F:30])[F:31])[cH:25][cH:26]1)[CH2:32][c:33]1[c:34]2[c:35]([n:36][cH:37][cH:38]1)[nH:39][c:40](-[c:42]1[cH:43][n:44]([CH3:55])[c:45]3[cH:46][c:47]([O:53][CH3:54])[c:48]([O:51][CH3:52])[cH:49][c:50]13)[cH:41]2

Participants

8

Reactant 7

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 6344DichloromethaneHCID 67147761HCID 67147761, compound

Product 1

HCID 67147792N-[2-(5,6-dimethoxy-1-methyl-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyrid-4-ylmethyl]-4-trifluoromethoxybenzenesulfonamide

Sources & evidence

ORD record
ord-986d3b6033fe486a8b0b19800ce8580f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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