Hydrochloric Acid → HCID 178460203, compound

HRID 679713Notes

Reaction equation

HRID 679713 reaction equation
[CH3:59][C:60]([N:61]([CH3:62])[CH3:63])=[O:64].[ClH:39].[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[o:26][c:27](-[c:30]5[cH:31][c:32]([OH:37])[c:33]([OH:36])[cH:34][cH:35]5)[n:28][n:29]4)=[C:16]([C:20](=[O:21])[OH:22])[N:17]3[C:18]2=[O:19])=[O:38])[n:6]1.[NH2:40][O:41][C:42]([C:43](=[O:44])[NH:45][NH:46][C:47]([c:48]1[cH:49][c:50]([OH:55])[c:51]([OH:54])[cH:52][cH:53]1)=[O:56])([CH3:57])[CH3:58]>>[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[o:26][c:27](-[c:30]5[cH:31][c:32]([OH:37])[c:33]([OH:36])[cH:34][cH:35]5)[n:28][n:29]4)=[C:16]([C:20](=[O:21])[OH:22])[N:17]3[C:18]2=[O:19])=[N:40][O:41][C:42]([C:43](=[O:44])[NH:45][NH:46][C:47]([c:48]2[cH:49][c:50]([OH:55])[c:51]([OH:54])[cH:52][cH:53]2)=[O:56])([CH3:57])[CH3:58])[n:6]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 31374DimethylacetamideHCID 14852625HCID 14852625, compoundHCID 178508538HCID 178508538, compound

Product 1

HCID 178460203HCID 178460203, compound

Sources & evidence

ORD record
ord-ef2e5153030e46afa7ee2700cca5c01e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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