Hydrochloric Acid → HCID 178432384, compound

HRID 142884Notes

Reaction equation

HRID 142884 reaction equation
[CH3:62][C:63]([N:64]([CH3:65])[CH3:66])=[O:67].[ClH:42].[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]([CH2:35][CH2:36][C:37]([NH:38][OH:39])=[O:40])[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:41])[n:6]1.[NH2:43][O:44][C:45]([C:46](=[O:47])[NH:48][NH:49][C:50]([c:51]1[cH:52][c:53]([OH:58])[c:54]([OH:57])[cH:55][cH:56]1)=[O:59])([CH3:60])[CH3:61]>>[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]([CH2:35][CH2:36][C:37]([NH:38][OH:39])=[O:40])[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:43][O:44][C:45]([C:46](=[O:47])[NH:48][NH:49][C:50]([c:51]2[cH:52][c:53]([OH:58])[c:54]([OH:57])[cH:55][cH:56]2)=[O:59])([CH3:60])[CH3:61])[n:6]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 31374DimethylacetamideHCID 14852625HCID 14852625, compoundHCID 178432385HCID 178432385, compound

Product 1

HCID 178432384HCID 178432384, compound

Sources & evidence

ORD record
ord-6e02c71191f74f418f169ea30f1406df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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