Acetate → HCID 58203721, compound

HRID 1122896Notes

Reaction equation

HRID 1122896 reaction equation
[CH3:29][O:30][CH2:31][CH2:32][NH2:33].[CH3:34][C:35]([CH3:36])([O-:37])[CH3:38].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:28]1)-[c:7]1[s:8][c:9](-[c:15]3[n:16](-[c:20]4[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]4)[n:17][cH:18][n:19]3)[cH:10][c:11]1[CH2:12][CH2:13][O:14]2.[O-:46][C:47]([CH3:48])=[O:49].[O-:50][C:51]([CH3:52])=[O:53].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[Pd+2:45]>>[c:2]1([NH:33][CH2:32][CH2:31][O:30][CH3:29])[cH:3][cH:4][c:5]2[c:6]([n:28]1)-[c:7]1[s:8][c:9](-[c:15]3[n:16](-[c:20]4[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]4)[n:17][cH:18][n:19]3)[cH:10][c:11]1[CH2:12][CH2:13][O:14]2

Participants

7

Reactant 6

HCID 175Acetate2×HCID 80182-MethoxyethylamineHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 579003099-Chloro-2-[2-(2,4-difluoro-phenyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-1-thia-10-aza-benzo[e]azulene

Product 1

HCID 58203721HCID 58203721, compound

Sources & evidence

ORD record
ord-6ab8b86e2a4e41c880f5034fade1b106
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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