Acetate → HCID 9794962, compound

HRID 1237615Notes

Reaction equation

HRID 1237615 reaction equation
[Br:1][c:2]1[cH:3][s:4][cH:5][cH:6]1.[Br:7][c:8]1[s:9][cH:10][cH:11][cH:12]1.[C:62]([O-:63])(=[O:64])[CH3:65].[C:67]([O-:68])(=[O:69])[CH3:70].[CH3:26][C:27]([CH3:28])([O-:29])[CH3:30].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[Cl-:60].[NH4+:61].[NH:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[Na+:31].[Pd+2:66].[c:32]1([C:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)=[C:40]([P:41]([CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[CH:48]2[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]2)[CH3:54])[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[c:2]1([N:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:3][s:4][cH:5][cH:6]1

Participants

12

Reactant 11

HCID 175Acetate2×HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ionHCID 1140TolueneHCID 11487DiphenylamineHCID 133833-BromothiopheneHCID 138512-BromothiopheneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 12010824Cy-vBRIDP

Product 1

HCID 9794962HCID 9794962, compound

Sources & evidence

ORD record
ord-59c99151feaa4f918e09f8ef961a3242
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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