Ethanolamine → N2-(2,4-dichlorophenyl)-N9-(2-hydroxyethyl)-N2-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2,9-dicarboxamide

HRID 690711Notes

Reaction equation

HRID 690711 reaction equation
[Cl:1][c:2]1[c:3]([N:9]([C:10](=[O:11])[c:12]2[cH:13][c:14]3[c:20]([s:21]2)-[c:19]2[c:18]([cH:25][cH:24][c:23]([C:26](=[O:27])[OH:28])[cH:22]2)[O:17][CH2:16][CH2:15]3)[CH3:29])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[NH2:30][CH2:31][CH2:32][OH:33]>>[Cl:1][c:2]1[c:3]([N:9]([C:10](=[O:11])[c:12]2[cH:13][c:14]3[c:20]([s:21]2)-[c:19]2[c:18]([cH:25][cH:24][c:23]([C:26](=[O:28])[NH:30][CH2:31][CH2:32][OH:33])[cH:22]2)[O:17][CH2:16][CH2:15]3)[CH3:29])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

Participants

3

Reactant 2

HCID 700EthanolamineHCID 668689222-[(2,4-Dichloro-phenyl)-methyl-carbamoyl]-4,5-dihydro-6-oxa-1-thia-benzo[e]azulene-9-carboxylic acid

Product 1

HCID 57900114N2-(2,4-dichlorophenyl)-N9-(2-hydroxyethyl)-N2-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2,9-dicarboxamide

Sources & evidence

ORD record
ord-6e2f690eb9cd4009821949cefcb3b929
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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