Ethanol → Tert-butyl 4-{2-[4-(2-chloro-4-nitroimidazol-1-ylmethyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}piperazine-1-carboxylate

HRID 2321652Notes

Reaction equation

HRID 2321652 reaction equation
[CH3:39][CH2:40][OH:41].[Cl:1][c:2]1[nH:3][cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1.[Na+:34].[O:10]1[CH2:11][C:12]12[CH2:13][CH2:14][N:15]([C:18]([CH2:19][N:20]1[CH2:21][CH2:22][N:23]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:24][CH2:25]1)=[O:33])[CH2:16][CH2:17]2.[OH:35][C:36](=[O:37])[O-:38]>>[Cl:1][c:2]1[n:3]([CH2:11][C:12]2([OH:10])[CH2:13][CH2:14][N:15]([C:18]([CH2:19][N:20]3[CH2:21][CH2:22][N:23]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:24][CH2:25]3)=[O:33])[CH2:16][CH2:17]2)[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1

Participants

6

Reactant 5

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 23081320Tert-butyl 4-[2-(1-oxa-6-azaspiro[2,5]octan-6-yl)-2-oxoethyl]piperazine-1-carboxylateHCID 178526855HCID 178526855, compound

Product 1

HCID 23081304Tert-butyl 4-{2-[4-(2-chloro-4-nitroimidazol-1-ylmethyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}piperazine-1-carboxylate

Sources & evidence

ORD record
ord-90ac506b2a7548219517261b14bb617d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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