Hydrochloric Acid → N-{[4-(benzylthio)tetrahydro-2H-pyran-4-yl]methyl}-7-[methyl(2-thienylsulfonyl)amino]-1H-indole-2-carboxamide

HRID 2138026Notes

Reaction equation

HRID 2138026 reaction equation
[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[S:30][C:31]1([CH2:37][NH2:38])[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1.[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][c:9]([C:12](=[O:13])[OH:14])[nH:10][c:11]12)[S:15](=[O:16])(=[O:17])[c:18]1[s:19][cH:20][cH:21][cH:22]1.[CH3:50][N:51]([CH3:52])[CH2:53][CH2:54][CH2:55][N:56]=[C:57]=[N:58][CH2:59][CH3:60].[CH3:66][C:67]#[N:68].[ClH:49].[Na+:61].[O:69]1[CH2:70][CH2:71][CH2:72][CH2:73]1.[OH:62][C:63](=[O:64])[O-:65].[n:39]1([OH:40])[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][c:9]([C:12](=[O:14])[NH:38][CH2:37][C:31]3([S:30][CH2:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[CH2:32][CH2:33][O:34][CH2:35][CH2:36]3)[nH:10][c:11]12)[S:15](=[O:16])(=[O:17])[c:18]1[s:19][cH:20][cH:21][cH:22]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 190249411-[4-(benzylthio)tetrahydro-2H-pyran-4-yl]methanamineHCID 574759517-[methyl(2-thienylsulfonyl)amino]-1H-indole-2-carboxylic acid

Product 1

HCID 59135588N-{[4-(benzylthio)tetrahydro-2H-pyran-4-yl]methyl}-7-[methyl(2-thienylsulfonyl)amino]-1H-indole-2-carboxamide

Sources & evidence

ORD record
ord-ceb5ece2bf9345a0a689b1dba247e145
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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