2-Hydrazinoethanol → 2-[5-(8-Bromo-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-yl)-[1,2,4]triazol-1-yl]-ethanol

HRID 1119233Notes

Reaction equation

HRID 1119233 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:24][cH:25]1)-[c:6]1[n:7][c:8](-[c:14]3[n:15]([CH2:19][C:20]([F:21])([F:22])[F:23])[n:16][cH:17][n:18]3)[s:9][c:10]1[CH2:11][CH2:12][O:13]2.[Br:26][c:27]1[cH:28][cH:29][c:30]2[c:42]([cH:43]1)[O:38][CH2:41][CH2:40][c:39]1[c:31]-2[n:32][c:33]([C:34]([NH2:35])=[O:36])[s:37]1.[NH:44]([CH2:45][CH2:46][OH:47])[NH2:48]>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:24][cH:25]1)-[c:6]1[n:7][c:8](-[c:14]3[n:15]([CH2:19][CH2:20][OH:38])[n:16][cH:17][n:18]3)[s:9][c:10]1[CH2:11][CH2:12][O:13]2

Participants

4

Reactant 3

HCID 80172-HydrazinoethanolHCID 582038498-Bromo-2-[2-(2,2,2-trifluoro-ethyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azuleneHCID 670505308-Bromo-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene-2-carboxylic acid amide

Product 1

HCID 582042312-[5-(8-Bromo-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-yl)-[1,2,4]triazol-1-yl]-ethanol

Sources & evidence

ORD record
ord-5c5cb5b39b7a4d9ca8412050bf95c888
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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