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

HRID 159057Notes

Reaction equation

HRID 159057 reaction equation
[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[CH:1](=[O:2])[CH:3]1[CH2:4][N:5]=[C:6]([c:8]2[nH:9][c:10]3[c:11]([N:17]([S:18](=[O:19])(=[O:20])[c:21]4[s:22][cH:23][cH:24][cH:25]4)[CH3:26])[cH:12][cH:13][cH:14][c:15]3[cH:16]2)[S:7]1.[Na+:48].[Na+:49].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH:50][C:51](=[O:52])[O-:53].[S:27]1(=[O:33])(=[O:34])[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1>>[CH2:1]([CH:3]1[CH2:4][N:5]=[C:6]([c:8]2[nH:9][c:10]3[c:11]([N:17]([S:18](=[O:19])(=[O:20])[c:21]4[s:22][cH:23][cH:24][cH:25]4)[CH3:26])[cH:12][cH:13][cH:14][c:15]3[cH:16]2)[S:7]1)[N:30]1[CH2:29][CH2:28][S:27](=[O:33])(=[O:34])[CH2:32][CH2:31]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 6484228Thiomorpholine 1,1-dioxideHCID 57503226HCID 57503226, compound

Product 1

HCID 59136083N-(2-{5-[(1,1-dioxidothiomorpholino)methyl]-4,5-dihydro-1,3-thiazol-2-yl}-1H-indol-7-yl)-N-methylthiophene-2-sulfonamide

Sources & evidence

ORD record
ord-7ab2e8b4eb924e0abb6012bb7aa72d53
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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