Hydrochloric Acid → HCID 178460197, compound

HRID 113179Notes

Reaction equation

HRID 113179 reaction equation
[CH3:63][C:64]([N:65]([CH3:66])[CH3:67])=[O:68].[ClH:43].[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:34]5[cH:35][c:36]([OH:41])[c:37]([OH:40])[cH:38][cH:39]5)[n:28][c:29]5[n:30]4[n:31][cH:32][cH:33]5)=[C:16]([C:20](=[O:21])[OH:22])[N:17]3[C:18]2=[O:19])=[O:42])[n:6]1.[NH2:44][O:45][C:46]([C:47](=[O:48])[NH:49][NH:50][C:51]([c:52]1[cH:53][c:54]([OH:59])[c:55]([OH:58])[cH:56][cH:57]1)=[O:60])([CH3:61])[CH3:62]>>[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:34]5[cH:35][c:36]([OH:41])[c:37]([OH:40])[cH:38][cH:39]5)[n:28][c:29]5[n:30]4[n:31][cH:32][cH:33]5)=[C:16]([C:20](=[O:21])[OH:22])[N:17]3[C:18]2=[O:19])=[N:44][O:45][C:46]([C:47](=[O:48])[NH:49][NH:50][C:51]([c:52]2[cH:53][c:54]([OH:59])[c:55]([OH:58])[cH:56][cH:57]2)=[O:60])([CH3:61])[CH3:62])[n:6]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 31374DimethylacetamideHCID 14852625HCID 14852625, compoundHCID 178508533HCID 178508533, compound

Product 1

HCID 178460197HCID 178460197, compound

Sources & evidence

ORD record
ord-3d78ee36cef44ff986c50541a6706586
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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