Bicarbonate Ion → N-methyl-N-[2-(8-oxa-1-thia-3-azaspiro[4.5]dec-2-en-2-yl)-1H-indol-7-yl]thiophene-2-sulfonamide

HRID 87435Notes

Reaction equation

HRID 87435 reaction equation
[CH2:36]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:53]1)[S:43][C:44]1([CH2:50][NH:51][C:52](=[O:37])[c:54]2[nH:55][c:56]3[c:57]([N:63]([S:64](=[O:65])(=[O:66])[c:67]4[s:68][cH:69][cH:70][cH:71]4)[CH3:72])[cH:58][cH:59][cH:60][c:61]3[cH:62]2)[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[CH3:78][C:79]#[N:80].[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+:73].[OH:74][C:75](=[O:76])[O-:77].[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]2([CH2:45][CH2:46][O:47][CH2:48][CH2:49]2)[CH2:50][N:51]=[C:52]1[c:54]1[nH:55][c:56]2[c:57]([N:63]([S:64](=[O:65])(=[O:66])[c:67]3[s:68][cH:69][cH:70][cH:71]3)[CH3:72])[cH:58][cH:59][cH:60][c:61]2[cH:62]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 13097Triphenylphosphine OxideHCID 67749Trifluoromethanesulfonic anhydrideHCID 59135588N-{[4-(benzylthio)tetrahydro-2H-pyran-4-yl]methyl}-7-[methyl(2-thienylsulfonyl)amino]-1H-indole-2-carboxamide

Product 1

HCID 24771986N-methyl-N-[2-(8-oxa-1-thia-3-azaspiro[4.5]dec-2-en-2-yl)-1H-indol-7-yl]thiophene-2-sulfonamide

Sources & evidence

ORD record
ord-7c610ff15d794c29bb3caa21bff23429
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…