Hydrochloric Acid → HCID 178429675, compound

HRID 281928Notes

Reaction equation

HRID 281928 reaction equation
[CH3:64][C:65]([N:66]([CH3:67])[CH3:68])=[O:69].[ClH:44].[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]([CH3:42])[n:28][c:29]5[n:30]4[n:31][c:32](-[c:34]4[cH:35][c:36]([OH:41])[c:37]([OH:40])[cH:38][cH:39]4)[n:33]5)=[C:16]([C:20](=[O:21])[OH:22])[N:17]3[C:18]2=[O:19])=[O:43])[n:6]1.[NH2:45][O:46][C:47]([C:48](=[O:49])[NH:50][NH:51][C:52]([c:53]1[cH:54][c:55]([OH:60])[c:56]([OH:59])[cH:57][cH:58]1)=[O:61])([CH3:62])[CH3:63]>>[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]([CH3:42])[n:28][c:29]5[n:30]4[n:31][c:32](-[c:34]4[cH:35][c:36]([OH:41])[c:37]([OH:40])[cH:38][cH:39]4)[n:33]5)=[C:16]([C:20](=[O:21])[OH:22])[N:17]3[C:18]2=[O:19])=[N:45][O:46][C:47]([C:48](=[O:49])[NH:50][NH:51][C:52]([c:53]2[cH:54][c:55]([OH:60])[c:56]([OH:59])[cH:57][cH:58]2)=[O:61])([CH3:62])[CH3:63])[n:6]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 31374DimethylacetamideHCID 14852625HCID 14852625, compoundHCID 178429681HCID 178429681, compound

Product 1

HCID 178429675HCID 178429675, compound

Sources & evidence

ORD record
ord-ab3f922c40a14aeeb21607d82589804b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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