Hydrochloric Acid → HCID 59135726, compound

HRID 682086Notes

Reaction equation

HRID 682086 reaction equation
[CH2:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[S:36][C:37]1([CH2:43][NH2:44])[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[CH3:1][O:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]2[cH:9][c:10]([C:26](=[O:27])[OH:28])[nH:11][c:12]2[c:13]([N:15]([S:16](=[O:17])(=[O:18])[c:19]2[n:20][cH:21][cH:22][cH:23][cH:24]2)[CH3:25])[cH:14]1.[CH3:56][N:57]([CH3:58])[CH2:59][CH2:60][CH2:61][N:62]=[C:63]=[N:64][CH2:65][CH3:66].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[ClH:55].[n:45]1([OH:46])[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[CH3:1][O:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]2[cH:9][c:10]([C:26](=[O:28])[NH:44][CH2:43][C:37]3([S:36][CH2:29][c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[CH2:38][CH2:39][O:40][CH2:41][CH2:42]3)[nH:11][c:12]2[c:13]([N:15]([S:16](=[O:17])(=[O:18])[c:19]2[n:20][cH:21][cH:22][cH:23][cH:24]2)[CH3:25])[cH:14]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 190249411-[4-(benzylthio)tetrahydro-2H-pyran-4-yl]methanamineHCID 574762045-(2-methoxyethoxy)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxylic acid

Product 1

HCID 59135726HCID 59135726, compound

Sources & evidence

ORD record
ord-9333c67723dd4068bd9db72fe1155437
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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