Ethanol → HCID 15291988, compound

HRID 1203428Notes

Reaction equation

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6](-[n:13]2[n:14][c:15]([C:28](=[O:29])[NH:30][C:31]3([C:41](=[O:42])[OH:43])[CH:32]4[CH2:33][CH:34]5[CH2:35][CH:36]([CH2:37][CH:38]3[CH2:39]5)[CH2:40]4)[cH:16][c:17]2-[c:18]2[c:19]([O:26][CH3:27])[cH:20][cH:21][cH:22][c:23]2[O:24][CH3:25])[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12.[CH3:48][CH2:49][OH:50].[Na+:47].[OH-:46].[OH:44][OH:45]>>[C:1]([NH2:2])([c:3]1[cH:4][cH:5][c:6](-[n:13]2[n:14][c:15]([C:28](=[O:29])[NH:30][C:31]3([C:41](=[O:42])[OH:43])[CH:32]4[CH2:33][CH:34]5[CH2:35][CH:36]([CH2:37][CH:38]3[CH2:39]5)[CH2:40]4)[cH:16][c:17]2-[c:18]2[c:19]([O:26][CH3:27])[cH:20][cH:21][cH:22][c:23]2[O:24][CH3:25])[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12)=[O:44]

Participants

Reactant 5

HCID 702Ethanol

HCID 784Hydrogen Peroxide

HCID 923Sodium ion

HCID 961Hydroxide

HCID 152919852-[[1-(4-Cyanonaphthalen-1-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid

Product 1

HCID 15291988HCID 15291988, compound

Sources & evidence

ORD record: ord-8109804659ab4e169ba390defe2724f1
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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