Acetate → HCID 67072585, compound

HRID 1550281Notes

Reaction equation

HRID 1550281 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][n:7][cH:8][c:9]2[cH:10][cH:11]1.[C:34](=[O:35])([O-:36])[O-:37].[C:93]([O-:94])(=[O:95])[CH3:96].[C:98]([O-:99])(=[O:100])[CH3:101].[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][C:20]([NH:21][CH:22]([CH2:23][CH3:24])[C:25]1([CH3:32])[CH2:26][CH2:27][CH:28]([NH2:31])[CH2:29][CH2:30]1)=[O:33].[CH3:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[Cs+:38].[Cs+:39].[Pd+2:97].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][c:51]3[c:52]([cH:53][cH:54][cH:55][cH:56]3)[c:57]2-[c:58]2[c:59]3[c:60]([cH:61][cH:62][cH:63][cH:64]3)[cH:65][cH:66][c:67]2[P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1>>[c:2]1([NH:31][CH:28]2[CH2:27][CH2:26][C:25]([CH:22]([NH:21][C:20]([O:19][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)=[O:33])[CH2:23][CH3:24])([CH3:32])[CH2:30][CH2:29]2)[cH:3][c:4]2[cH:5][cH:6][n:7][cH:8][c:9]2[cH:10][cH:11]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 3136816-BromoisoquinolineHCID 634876Binap, (A+-)-HCID 67072976HCID 67072976, compound

Product 1

HCID 67072585HCID 67072585, compound

Sources & evidence

ORD record
ord-37da916932fd4e52ae4fd3ad4b128e23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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