Ethanol → HCID 73446800, compound

HRID 105381Notes

Reaction equation

HRID 105381 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([CH:25]2[CH2:26][C:27]([c:38]3[cH:39][cH:40][c:41]4[cH:42][cH:43][c:44]5[cH:45][cH:46][cH:47][c:48]6[cH:49][cH:50][c:51]3[c:52]4[c:53]56)=[N:28][N:29]2[c:30]2[cH:31][cH:32][c:33]([CH:34]=[O:35])[cH:36][cH:37]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:34][c:33]1[cH:32][cH:31][c:30]([N:29]2[CH:25]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:26][C:27]([c:38]3[cH:39][cH:40][c:41]4[cH:42][cH:43][c:44]5[cH:45][cH:46][cH:47][c:48]6[cH:49][cH:50][c:51]3[c:52]4[c:53]56)=[N:28]2)[cH:37][cH:36]1

Participants

5

Reactant 4

HCID 702EthanolHCID 8082PiperidineHCID 789785HCID 789785, compoundHCID 18458009HCID 18458009, compound

Product 1

HCID 73446800HCID 73446800, compound

Sources & evidence

ORD record
ord-24cf439e9909491ba6b0b43d0f8e6e73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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