Water → HCID 178429673, compound

HRID 211511Notes

Reaction equation

HRID 211511 reaction equation
[CH3:62][C:63]([N:64]([CH3:65])[CH3:66])=[O:67].[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]([CH3:37])[n:28][c:29]5[n:30]4[n:31][c:32]([C:34]([NH2:35])=[O:36])[n:33]5)=[C:16]([C:20](=[O:21])[OH:22])[N:17]3[C:18]2=[O:19])=[O:38])[n:6]1.[NH2:39][O:40][CH2:41][c:42]1[nH:43][cH:44][c:45]([OH:49])[c:46](=[O:48])[n:47]1.[OH2:50].[c:51]1([CH3:52])[cH:53][cH:54][c:55]([S:56]([OH:57])(=[O:58])=[O:59])[cH:60][cH:61]1>>[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]([CH3:37])[n:28][c:29]5[n:30]4[n:31][c:32]([C:34]([NH2:35])=[O:36])[n:33]5)=[C:16]([C:20](=[O:21])[OH:22])[N:17]3[C:18]2=[O:19])=[N:39][O:40][CH2:41][c:42]2[nH:43][cH:44][c:45]([OH:49])[c:46](=[O:48])[n:47]2)[n:6]1

Participants

6

Reactant 5

HCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 31374DimethylacetamideHCID 178429683HCID 178429683, compoundHCID 178514652HCID 178514652, compound

Product 1

HCID 178429673HCID 178429673, compound

Sources & evidence

ORD record
ord-ee6cc6f70978499ab3cd0b7d2aaf88f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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