Acetate → HCID 9822422, compound

HRID 162389Notes

Reaction equation

HRID 162389 reaction equation
[Br:3][c:4]1[s:5][cH:6][cH:7][n:8]1.[Br:9][c:10]1[n:11][n:12][c:13]([CH2:22][c:23]2[c:24]([Cl:30])[cH:25][n:26][cH:27][c:28]2[Cl:29])[c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][c:19]12.[C:65]([O-:66])(=[O:67])[CH3:68].[C:70]([O-:71])(=[O:72])[CH3:73].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cl-:50].[N:1]#[N:2].[NH4+:51].[Pd+2:69].[Zn:64].[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[c:4]1(-[c:10]2[n:11][n:12][c:13]([CH2:22][c:23]3[c:24]([Cl:30])[cH:25][n:26][cH:27][c:28]3[Cl:29])[c:14]3[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][c:19]23)[s:5][cH:6][cH:7][n:8]1

Participants

12

Reactant 11

HCID 175Acetate2×HCID 223AmmoniumHCID 312ChlorideHCID 947NitrogenHCID 1140TolueneHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 23994ZincHCID 764302-BromothiazoleHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 9908871HCID 9908871, compound

Product 1

HCID 9822422HCID 9822422, compound

Sources & evidence

ORD record
ord-af9d4c1c949a4e2dae897de4d01d3e60
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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