Ethanol → HCID 73446799, compound

HRID 2315464Notes

Reaction equation

HRID 2315464 reaction equation
[CH2:54]1[CH2:55][CH2:56][NH:57][CH2:58][CH2:59]1.[CH3:1][C:2]1=[CH:7][C:6](=[C:8]([C:9]#[N:10])[C:11]#[N:12])[CH:5]=[C:4]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[O:3]1.[CH3:60][CH2:61][OH:62].[c:19]1([C:25]2=[N:26][N:27]([c:46]3[cH:47][cH:48][c:49]([CH:50]=[O:51])[cH:52][cH:53]3)[CH:28]([c:30]3[cH:31][cH:32][c:33]4[cH:34][cH:35][c:36]5[cH:37][cH:38][cH:39][c:40]6[cH:41][cH:42][c:43]3[c:44]4[c:45]56)[CH2:29]2)[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[CH:1]([C:2]1=[CH:7][C:6](=[C:8]([C:9]#[N:10])[C:11]#[N:12])[CH:5]=[C:4]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[O:3]1)=[CH:50][c:49]1[cH:48][cH:47][c:46]([N:27]2[N:26]=[C:25]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:29][CH:28]2[c:30]2[cH:31][cH:32][c:33]3[cH:34][cH:35][c:36]4[cH:37][cH:38][cH:39][c:40]5[cH:41][cH:42][c:43]2[c:44]3[c:45]45)[cH:53][cH:52]1

Participants

5

Reactant 4

HCID 702EthanolHCID 8082PiperidineHCID 789785HCID 789785, compoundHCID 18458006HCID 18458006, compound

Product 1

HCID 73446799HCID 73446799, compound

Sources & evidence

ORD record
ord-00f38301d4234d3ab07469aa3b70a24b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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