Ethanol → HCID 178432325, compound

HRID 1125454Notes

Reaction equation

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

Participants

Reactant 3

HCID 702Ethanol

HCID 8079Cyclohexene

HCID 575552261-(3,3-Dimethyl-butyl)-piperidine-4-carboxylic Acid 4-(1-benzyl-2-methyl-4,5-dihydro-1H-1,3,6-triaza-benzo[e]azulene-6-carbonyl)-2-methyl-benzylamide

Product 1

HCID 178432325HCID 178432325, compound

Sources & evidence

ORD record: ord-641f8512106b493eb4c5348d4a29ec54
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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