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Ethanolamine → 1-[7-(2-Chloro-6-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-N-(2-hydroxyethyl)piperidine-3-carboxamide

HRID 2324541
Notes
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Reaction equation

HRID 2324541 reaction equation
[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[CH3:42][OH:43].[Cl:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([N:18]3[CH2:19][CH:20]([C:24](=[O:25])[OH:26])[CH2:21][CH2:22][CH2:23]3)[n:7][c:8]3[n:9]([CH3:17])[c:10](=[O:16])[n:11]([CH3:15])[c:12](=[O:14])[c:13]23)[c:27]([F:31])[cH:28][cH:29][cH:30]1.[Cl:44][CH2:45][Cl:46].[NH2:32][CH2:33][CH2:34][OH:35]>>[Cl:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([N:18]3[CH2:19][CH:20]([C:24](=[O:25])[NH:32][CH2:33][CH2:34][OH:35])[CH2:21][CH2:22][CH2:23]3)[n:7][c:8]3[n:9]([CH3:17])[c:10](=[O:16])[n:11]([CH3:15])[c:12](=[O:14])[c:13]23)[c:27]([F:31])[cH:28][cH:29][cH:30]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 700EthanolamineHCID 887MethanolHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 100038741-[7-(2-Chloro-6-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperidine-3-carboxylic acid

Product 1

HCID 57565601
1-[7-(2-Chloro-6-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-N-(2-hydroxyethyl)piperidine-3-carboxamide

Sources & evidence

ORD record
ord-db192b1fa7eb484db4bc6b314ea4e3b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes