Water → HCID 50938977, compound

HRID 294069Notes

Reaction equation

HRID 294069 reaction equation
[CH3:39][C:40](=[O:41])[O:42][C:43](=[O:44])[CH3:45].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:59][N:60]([c:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1)[CH3:67].[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][NH:7][CH2:8][c:9]2[c:10](-[c:34]3[s:35][cH:36][cH:37][cH:38]3)[c:11]3[n:12]([c:31]2[C:32]1=[O:33])[CH2:13][CH2:14][c:15]1[cH:16][c:17]([O:29][CH3:30])[c:18](-[c:21]2[c:22]([CH3:28])[n:23][n:24]([CH3:27])[c:25]2[CH3:26])[cH:19][c:20]1-3.[OH2:46].[cH:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([C:40]([CH3:39])=[O:41])[CH2:8][c:9]2[c:10](-[c:34]3[s:35][cH:36][cH:37][cH:38]3)[c:11]3[n:12]([c:31]2[C:32]1=[O:33])[CH2:13][CH2:14][c:15]1[cH:16][c:17]([O:29][CH3:30])[c:18](-[c:21]2[c:22]([CH3:28])[n:23][n:24]([CH3:27])[c:25]2[CH3:26])[cH:19][c:20]1-3

Participants

7

Reactant 6

HCID 962WaterHCID 1049PyridineHCID 7918Acetic AnhydrideHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 58124924HCID 58124924, compound

Product 1

HCID 50938977HCID 50938977, compound

Sources & evidence

ORD record
ord-b8e47a3542694208a11406bd8ff24c1d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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