Water → HCID 178508503, compound

HRID 2346695Notes

Reaction equation

HRID 2346695 reaction equation
[CH3:66][C:67]([N:68]([CH3:69])[CH3:70])=[O:71].[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.[NH2:43][O:44][CH2:45][c:46]1[nH:47][cH:48][c:49]([OH:53])[c:50](=[O:52])[n:51]1.[OH2:54].[c:55]1([CH3:56])[cH:57][cH:58][c:59]([S:60]([OH:61])(=[O:62])=[O:63])[cH:64][cH:65]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](-[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:43][O:44][CH2:45][c:46]2[nH:47][cH:48][c:49]([OH:53])[c:50](=[O:52])[n:51]2)[n:6]1

Participants

6

Reactant 5

HCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 31374DimethylacetamideHCID 178508533HCID 178508533, compoundHCID 178514652HCID 178514652, compound

Product 1

HCID 178508503HCID 178508503, compound

Sources & evidence

ORD record
ord-10b8be5b8c78441da3ddd555ed612d7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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