Hydrochloric Acid → HCID 178429676, compound

HRID 2345284Notes

Reaction equation

HRID 2345284 reaction equation
[CH3:61][C:62]([N:63]([CH3:64])[CH3:65])=[O:66].[ClH:41].[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]([CH3:39])[n:28][c:29]5[n:30]4[n:31][c:32]([C:34]([N:35]([CH3:36])[OH:37])=[O:38])[n:33]5)=[C:16]([C:20](=[O:21])[OH:22])[N:17]3[C:18]2=[O:19])=[O:40])[n:6]1.[NH2:42][O:43][C:44]([C:45](=[O:46])[NH:47][NH:48][C:49]([c:50]1[cH:51][c:52]([OH:57])[c:53]([OH:56])[cH:54][cH:55]1)=[O:58])([CH3:59])[CH3:60]>>[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]([CH3:39])[n:28][c:29]5[n:30]4[n:31][c:32]([C:34]([N:35]([CH3:36])[OH:37])=[O:38])[n:33]5)=[C:16]([C:20](=[O:21])[OH:22])[N:17]3[C:18]2=[O:19])=[N:42][O:43][C:44]([C:45](=[O:46])[NH:47][NH:48][C:49]([c:50]2[cH:51][c:52]([OH:57])[c:53]([OH:56])[cH:54][cH:55]2)=[O:58])([CH3:59])[CH3:60])[n:6]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 31374DimethylacetamideHCID 14852625HCID 14852625, compoundHCID 178429684HCID 178429684, compound

Product 1

HCID 178429676HCID 178429676, compound

Sources & evidence

ORD record
ord-9bc94b92537c449b98e205fe9fcb2971
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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