Ethanolamine → 2-(3-amino-1-(2,4-difluorophenyl)-1H-1,2,4-triazol-5-yl)-N-(2-hydroxyethyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-8-carboxamide

HRID 318978Notes

Reaction equation

HRID 318978 reaction equation
[NH2:1][c:2]1[n:3][c:4](-[c:15]2[cH:16][c:17]3[c:23]([s:24]2)-[c:22]2[c:21]([cH:28][c:27]([C:29](=[O:30])[OH:31])[cH:26][cH:25]2)[O:20][CH2:19][CH2:18]3)[n:5](-[c:7]2[c:8]([F:14])[cH:9][c:10]([F:13])[cH:11][cH:12]2)[n:6]1.[NH2:32][CH2:33][CH2:34][OH:35]>>[NH2:1][c:2]1[n:3][c:4](-[c:15]2[cH:16][c:17]3[c:23]([s:24]2)-[c:22]2[c:21]([cH:28][c:27]([C:29](=[O:31])[NH:32][CH2:33][CH2:34][OH:35])[cH:26][cH:25]2)[O:20][CH2:19][CH2:18]3)[n:5](-[c:7]2[c:8]([F:14])[cH:9][c:10]([F:13])[cH:11][cH:12]2)[n:6]1

Participants

3

Reactant 2

HCID 700EthanolamineHCID 670505382-[5-Amino-2-(2,4-difluoro-phenyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-1-thia-benzo[e]azulene-8-carboxylic acid

Product 1

HCID 582041512-(3-amino-1-(2,4-difluorophenyl)-1H-1,2,4-triazol-5-yl)-N-(2-hydroxyethyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-8-carboxamide

Sources & evidence

ORD record
ord-e9d65acf994b41a3a610c461eb8a83d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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