Dichloromethane → 1-(4-{2-[2-(2,4-Difluoro-phenyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-1-thia-10-aza-benzo[e]azulen-9-yl}-piperazin-1-yl)-ethanone

HRID 1540009Notes

Reaction equation

HRID 1540009 reaction equation
[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:43][C:44]([Cl:45])=[O:46].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:47][CH2:48][Cl:49].[F:1][c:2]1[c:3](-[n:9]2[n:10][cH:11][n:12][c:13]2-[c:14]2[cH:15][c:16]3[c:22]([s:23]2)-[c:21]2[c:20]([cH:27][cH:26][c:25]([N:28]4[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]4)[n:24]2)[O:19][CH2:18][CH2:17]3)[cH:4][cH:5][c:6]([F:8])[cH:7]1>>[F:1][c:2]1[c:3](-[n:9]2[n:10][cH:11][n:12][c:13]2-[c:14]2[cH:15][c:16]3[c:22]([s:23]2)-[c:21]2[c:20]([cH:27][cH:26][c:25]([N:28]4[CH2:29][CH2:30][N:31]([C:44]([CH3:43])=[O:46])[CH2:32][CH2:33]4)[n:24]2)[O:19][CH2:18][CH2:17]3)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 6367Acetyl chlorideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 579005292-[2-(2,4-Difluoro-phenyl)-2H-[1,2,4]triazol-3-yl]-9-piperazin-1-yl-4,5-dihydro-6-oxa-1-thia-10-aza-benzo[e]azulene

Product 1

HCID 582039581-(4-{2-[2-(2,4-Difluoro-phenyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-1-thia-10-aza-benzo[e]azulen-9-yl}-piperazin-1-yl)-ethanone

Sources & evidence

ORD record
ord-e97a865d70fe449c94afee1d23cc03bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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