Ethanol → Benzyl (2-((4-fluorobenzyl)carbamoyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)carbamate

HRID 113485Notes

Reaction equation

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

Participants

Reactant 4

HCID 702Ethanol

HCID 8471Triethylamine

HCID 673264-Fluorobenzylamine

HCID 57904801Ethyl 10-(((benzyloxy)carbonyl)amino)-3-hydroxy-4-oxo-4,6,7,8,9,10-hexahydro-7,10-ethanopyrimido[1,2-a]azepine-2-carboxylate

Product 1

HCID 57905202Benzyl (2-((4-fluorobenzyl)carbamoyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)carbamate

Sources & evidence

ORD record: ord-62a297036cdc4721beac8e041f48ca16
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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