Bicarbonate Ion → N-{2-[5-(2-hydroxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl}-N-methylthiophene-2-sulfonamide

HRID 2341577Notes

Reaction equation

HRID 2341577 reaction equation
[CH2:36]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:48]1)[S:43][C:44]([CH2:45][NH:46][C:47](=[O:37])[c:49]1[nH:50][c:51]2[c:52]([N:58]([S:59](=[O:60])(=[O:61])[c:62]3[s:63][cH:64][cH:65][cH:66]3)[CH3:67])[cH:53][cH:54][cH:55][c:56]2[cH:57]1)([CH2:68][CH2:69][OH:70])[CH3:71].[CH3:77][C:78]#[N:79].[F:21][C:22]([S:23]([O:24][S:25]([C:26]([F:27])([F:28])[F:29])(=[O:30])=[O:31])(=[O:32])=[O:33])([F:34])[F:35].[Na+:72].[OH:73][C:74](=[O:75])[O-:76].[c:1]1([P:2](=[O:3])([c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[S:43]1[C:44]([CH2:68][CH2:69][OH:70])([CH3:71])[CH2:45][N:46]=[C:47]1[c:49]1[nH:50][c:51]2[c:52]([N:58]([S:59](=[O:60])(=[O:61])[c:62]3[s:63][cH:64][cH:65][cH:66]3)[CH3:67])[cH:53][cH:54][cH:55][c:56]2[cH:57]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 13097Triphenylphosphine OxideHCID 67749Trifluoromethanesulfonic anhydrideHCID 59135851N-[2-(benzylthio)-4-hydroxy-2-methylbutyl]-7-[methyl(2-thienylsulfonyl)amino]-1H-indole-2-carboxamide

Product 1

HCID 57476112N-{2-[5-(2-hydroxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl}-N-methylthiophene-2-sulfonamide

Sources & evidence

ORD record
ord-6067be63620e4fcebd290105567392ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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