Acetate → HCID 178491931, compound

HRID 1130818Notes

Reaction equation

HRID 1130818 reaction equation
[Br:1][c:2]1[cH:3][c:4]([N+:10](=[O:11])[O-:12])[c:5]([O:8][CH3:9])[cH:6][cH:7]1.[C:46](=[O:47])([O-:48])[O-:49].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH:14]12[NH:15][CH2:16][CH:17]([O:18][CH2:19]1)[CH2:20]2.[CH:21]1([P:22]([CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1.[ClH:13].[Cs+:50].[Cs+:51].[O-:66][C:67]([CH3:68])=[O:69].[O-:70][C:71]([CH3:72])=[O:73].[O:59]1[CH2:60][CH2:61][O:62][CH2:63][CH2:64]1.[Pd+2:65]>>[c:2]1([N:15]2[CH:14]3[CH2:19][O:18][CH:17]([CH2:16]2)[CH2:20]3)[cH:3][c:4]([N+:10](=[O:11])[O-:12])[c:5]([O:8][CH3:9])[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 8471TriethylamineHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 1185334-Bromo-2-nitroanisoleHCID 27342162-(Dicyclohexylphosphino)biphenylHCID 36145512-Oxa-5-azabicyclo(2.2.1)heptane

Product 1

HCID 178491931HCID 178491931, compound

Sources & evidence

ORD record
ord-413f2cb2bf634e93a8244601e1a7e216
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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