Acetate → HCID 58203985, compound

HRID 678310Notes

Reaction equation

HRID 678310 reaction equation
[CH3:36][C:37]([CH3:38])([O-:39])[CH3:40].[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-:48][C:49]([CH3:50])=[O:51].[O-:52][C:53]([CH3:54])=[O:55].[O:29]1[CH2:30][CH2:31][CH:32]([NH2:35])[CH2:33][CH2:34]1.[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[Pd+2:47]>>[c:2]1([NH:35][CH:32]2[CH2:31][CH2:30][O:29][CH2:34][CH2:33]2)[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 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 4192234-AminotetrahydropyranHCID 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 58203985HCID 58203985, compound

Sources & evidence

ORD record
ord-b2ffc56a1adc49088edade4454858259
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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