Water → HCID 136052270, compound

HRID 1225611Notes

Reaction equation

HRID 1225611 reaction equation
[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:21][c:22]3[cH:23][cH:24][c:25](-[c:28]4[c:29](-[c:34]5[n:35][o:36][c:37](=[O:39])[nH:38]5)[cH:30][cH:31][cH:32][cH:33]4)[cH:26][cH:27]3)[c:8](=[O:20])[n:9]([CH2:12][C:13]([C:14]([CH2:15][OH:16])([CH3:17])[CH3:18])=[O:19])[c:10]2=[O:11])[s:40]1.[CH3:41][C:42](=[O:43])[O:44][C:45](=[O:46])[CH3:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[OH2:54].[cH:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:21][c:22]3[cH:23][cH:24][c:25](-[c:28]4[c:29](-[c:34]5[n:35][o:36][c:37](=[O:39])[nH:38]5)[cH:30][cH:31][cH:32][cH:33]4)[cH:26][cH:27]3)[c:8](=[O:20])[n:9]([CH2:12][C:13]([C:14]([CH2:15][O:16][C:42]([CH3:41])=[O:43])([CH3:17])[CH3:18])=[O:19])[c:10]2=[O:11])[s:40]1

Participants

6

Reactant 5

HCID 962WaterHCID 1049PyridineHCID 7918Acetic AnhydrideHCID 8857Ethyl AcetateHCID 136052343HCID 136052343, compound

Product 1

HCID 136052270HCID 136052270, compound

Sources & evidence

ORD record
ord-50791334b7d3493da28f1dcc530cef99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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