Bromide ion → N-methyl-N-{2-[5-(2-oxopropyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl}thiophene-2-sulfonamide

HRID 1568548Notes

Reaction equation

HRID 1568548 reaction equation
[Br-:37].[CH3:1][O:2][N:3]([C:4]([CH2:5][CH:6]1[CH2:7][N:8]=[C:9]([c:11]2[nH:12][c:13]3[c:14]([N:20]([S:21](=[O:22])(=[O:23])[c:24]4[s:25][cH:26][cH:27][cH:28]4)[CH3:29])[cH:15][cH:16][cH:17][c:18]3[cH:19]2)[S:10]1)=[O:30])[CH3:31].[CH3:38][Mg+:39].[O:32]1[CH2:33][CH2:36][CH2:35][CH2:34]1.[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH:40][C:41]([CH2:42][C:43]([C:44](=[O:45])[OH:46])([CH2:47][C:48](=[O:49])[OH:50])[OH:51])=[O:52]>>[C:4]([CH2:5][CH:6]1[CH2:7][N:8]=[C:9]([c:11]2[nH:12][c:13]3[c:14]([N:20]([S:21](=[O:22])(=[O:23])[c:24]4[s:25][cH:26][cH:27][cH:28]4)[CH3:29])[cH:15][cH:16][cH:17][c:18]3[cH:19]2)[S:10]1)(=[O:30])[CH3:33]

Participants

6

Reactant 5

HCID 259Bromide ionHCID 311Citric AcidHCID 8028Tetrahydrofuran2×HCID 59135983N-methoxy-N-methyl-2-(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazol-5-yl)acetamideHCID 178477777HCID 178477777, compound

Product 1

HCID 57476294N-methyl-N-{2-[5-(2-oxopropyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl}thiophene-2-sulfonamide

Sources & evidence

ORD record
ord-44b7bca6c8334150a527f963e0a9b4cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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