Hydrochloric Acid → HCID 178432395, compound

HRID 1546047Notes

Reaction equation

HRID 1546047 reaction equation
[CH3:60][C:61]([N:62]([CH3:63])[CH3:64])=[O:65].[ClH:40].[NH2:1][c:2]1[s:3][cH:4][c:5]([C:7]([C:8](=[O:9])[NH:10][CH:11]2[CH:12]3[S:13][CH2:14][C:15]([CH2:23][S:24][c:25]4[cH:26][c:27]([C:35]([NH:36][OH:37])=[O:38])[n:28][c:29]5[n:30]4[n:31][c:32]([CH3:34])[n:33]5)=[C:16]([C:20](=[O:21])[OH:22])[N:17]3[C:18]2=[O:19])=[O:39])[n:6]1.[NH2:41][O:42][C:43]([C:44](=[O:45])[NH:46][NH:47][C:48]([c:49]1[cH:50][c:51]([OH:56])[c:52]([OH:55])[cH:53][cH:54]1)=[O:57])([CH3:58])[CH3:59]>>[NH2:1][c:2]1[s:3][cH:4][c:5]([C:7]([C:8](=[O:9])[NH:10][CH:11]2[CH:12]3[S:13][CH2:14][C:15]([CH2:23][S:24][c:25]4[cH:26][c:27]([C:35]([NH:36][OH:37])=[O:38])[n:28][c:29]5[n:30]4[n:31][c:32]([CH3:34])[n:33]5)=[C:16]([C:20](=[O:21])[OH:22])[N:17]3[C:18]2=[O:19])=[N:41][O:42][C:43]([C:44](=[O:45])[NH:46][NH:47][C:48]([c:49]2[cH:50][c:51]([OH:56])[c:52]([OH:55])[cH:53][cH:54]2)=[O:57])([CH3:58])[CH3:59])[n:6]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 31374DimethylacetamideHCID 14852625HCID 14852625, compoundHCID 178432396HCID 178432396, compound

Product 1

HCID 178432395HCID 178432395, compound

Sources & evidence

ORD record
ord-69fa641d4ff64c968c33db795689bae7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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