Dimethylformamide → 9-Bromo-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene-2-carboxylic acid (2-hydroxy-ethyl)-isopropyl-amide

HRID 679762Notes

Reaction equation

HRID 679762 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)-[c:7]1[n:8][c:9]([C:15](=[O:16])[OH:17])[s:10][c:11]1[CH2:12][CH2:13][O:14]2.[CH3:19][N:20]([CH3:21])[CH:22]=[O:23].[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[CH:33]([CH3:34])([CH3:35])[NH:36][CH2:37][CH2:38][OH:39]>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)-[c:7]1[n:8][c:9]([C:15](=[O:17])[N:36]([CH:33]([CH3:34])[CH3:35])[CH2:37][CH2:38][OH:39])[s:10][c:11]1[CH2:12][CH2:13][O:14]2

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 79942-(Isopropylamino)ethanolHCID 81531DiisopropylethylamineHCID 582039379-Bromo-4,5-dihydrobenzo[2,3]oxepino[4,5-D]thiazole-2-carboxylic acid

Product 1

HCID 582040029-Bromo-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene-2-carboxylic acid (2-hydroxy-ethyl)-isopropyl-amide

Sources & evidence

ORD record
ord-742c4a0d628f41a0b1ea5bdf37debb2d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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