Acetate → HCID 76635987, compound

HRID 1558680Notes

Reaction equation

HRID 1558680 reaction equation
[CH2:43]([N:44]1[CH2:45][CH2:46][N:47]2[CH2:48][CH2:49][N:50]([CH2:51][CH2:52][CH2:53][CH3:54])[P:55]1[N:56]([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62]2)[CH2:63][CH2:64][CH3:65].[CH3:29][CH:30]1[NH:31][CH:32]([CH3:36])[CH2:33][NH:34][CH2:35]1.[CH3:37][C:38]([CH3:39])([O-:40])[CH3:41].[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.[Na+:42].[O-:67][C:68]([CH3:69])=[O:70].[O-:71][C:72]([CH3:73])=[O:74].[Pd+2:66]>>[c:2]1([N:34]2[CH2:33][CH:32]([CH3:36])[NH:31][CH:30]([CH3:29])[CH2:35]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

8

Reactant 7

HCID 175Acetate2×HCID 923Sodium ionHCID 660562,6-DimethylpiperazineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 575886892,8,9-Tributyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecaneHCID 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 76635987HCID 76635987, compound

Sources & evidence

ORD record
ord-17f6da171545421fa0489280e9d62187
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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