Hydrochloric Acid → N-[2-(benzylthio)-3-thiomorpholinopropyl]-5-(3-methoxypropoxy)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide

HRID 2310397Notes

Reaction equation

HRID 2310397 reaction equation
[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[S:37][CH:38]([CH2:39][NH2:40])[CH2:41][N:42]1[CH2:43][CH2:44][S:45][CH2:46][CH2:47]1.[CH3:1][O:2][CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]2[cH:10][c:11]([C:27](=[O:28])[OH:29])[nH:12][c:13]2[c:14]([N:16]([S:17](=[O:18])(=[O:19])[c:20]2[n:21][cH:22][cH:23][cH:24][cH:25]2)[CH3:26])[cH:15]1.[CH3:59][N:60]([CH3:61])[CH2:62][CH2:63][CH2:64][N:65]=[C:66]=[N:67][CH2:68][CH3:69].[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[ClH:58].[OH2:70].[n:48]1([OH:49])[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]2[cH:10][c:11]([C:27](=[O:29])[NH:40][CH2:39][CH:38]([S:37][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[CH2:41][N:42]3[CH2:43][CH2:44][S:45][CH2:46][CH2:47]3)[nH:12][c:13]2[c:14]([N:16]([S:17](=[O:18])(=[O:19])[c:20]2[n:21][cH:22][cH:23][cH:24][cH:25]2)[CH3:26])[cH:15]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 574762135-(3-methoxypropoxy)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxylic acidHCID 574762142-(Benzylthio)-3-thiomorpholinopropan-1-amine

Product 1

HCID 59303522N-[2-(benzylthio)-3-thiomorpholinopropyl]-5-(3-methoxypropoxy)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide

Sources & evidence

ORD record
ord-90f28ad3d223409b9a276ab2ff1f8bd5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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