Bicarbonate Ion → N-[2-(1,8-dithia-3-azaspiro[4.5]dec-2-en-2-yl)-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide

HRID 668873Notes

Reaction equation

HRID 668873 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:68]([S:69](=[O:70])(=[O:71])[c:72]4[n:73][cH:74][cH:75][cH:76][cH:77]4)[CH3:78])[cH:58][c:59]([O:63][CH2:64][CH2:65][O:66][CH3:67])[cH:60][c:61]3[cH:62]2)[CH2:45][CH2:46][S:47][CH2:48][CH2:49]1.[CH3:92][C:93]#[N:94].[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+:87].[OH:88][C:89](=[O:90])[O-:91].[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.[c:79]1([S:80][CH3:81])[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[S:43]1[C:44]2([CH2:45][CH2:46][S:47][CH2:48][CH2:49]2)[CH2:50][N:51]=[C:52]1[c:54]1[nH:55][c:56]2[c:57]([N:68]([S:69](=[O:70])(=[O:71])[c:72]3[n:73][cH:74][cH:75][cH:76][cH:77]3)[CH3:78])[cH:58][c:59]([O:63][CH2:64][CH2:65][O:66][CH3:67])[cH:60][c:61]2[cH:62]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 7520ThioanisoleHCID 13097Triphenylphosphine OxideHCID 67749Trifluoromethanesulfonic anhydrideHCID 59135936N-{[4-(benzylthio)tetrahydro-2H-thiopyran-4-yl]methyl)-5-(2-methoxyethoxy)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide

Product 1

HCID 59135931N-[2-(1,8-dithia-3-azaspiro[4.5]dec-2-en-2-yl)-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide

Sources & evidence

ORD record
ord-1bb52aa9f1f04428b409c16d5b2526b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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