Ethanol → HCID 69233895, compound

HRID 2331549Notes

Reaction equation

HRID 2331549 reaction equation
[CH3:1][c:2]1[nH:3][c:4]2[c:5]([CH3:16])[cH:6][cH:7][c:8]([O:11][CH2:12][CH:13]3[O:14][CH2:15]3)[c:9]2[cH:10]1.[CH3:46][CH2:47][OH:48].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[cH:17]1[c:18]([N:27]2[CH:28]3[CH2:29][CH:30]=[CH:31][CH2:32][CH:33]([CH2:34]2)[NH:35][CH2:36]3)[cH:19][cH:20][c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]12>>[CH3:1][c:2]1[nH:3][c:4]2[c:5]([CH3:16])[cH:6][cH:7][c:8]([O:11][CH2:12][CH:13]([OH:14])[CH2:15][N:35]3[CH:33]4[CH2:32][CH:31]=[CH:30][CH2:29][CH:28]([N:27]([c:18]5[cH:17][c:26]6[c:21]([cH:20][cH:19]5)[cH:22][cH:23][cH:24][cH:25]6)[CH2:34]4)[CH2:36]3)[c:9]2[cH:10]1

Participants

5

Reactant 4

HCID 702EthanolHCID 81531DiisopropylethylamineHCID 692305417-Naphthalen-2-yl-7,9-diaza-bicyclo[4.2.2]dec-3-eneHCID 866191532,7-Dimethyl-4-oxiranylmethoxy-1H-indole

Product 1

HCID 69233895HCID 69233895, compound

Sources & evidence

ORD record
ord-b189c779fe9a487186be02d63f48f34c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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