Acetate → HCID 178470847, compound

HRID 1569605Notes

Reaction equation

HRID 1569605 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][c:12]3[cH:13][cH:14][c:15]([Br:22])[n:16][c:17]3[N:18]2[CH:19]([CH3:21])[CH2:20]1.[C:23]([CH:24]=[CH2:25])(=[O:26])[O:27][CH2:28][CH3:29].[C:57](=[O:58])([OH:59])[O-:60].[CH2:69]([Pd:70][Cl:71])[CH:72]=[CH2:73].[CH3:31][C:32](=[O:33])[O-:34].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[Na+:30].[Na+:61].[c:35]1([CH3:36])[cH:37][cH:38][cH:39][cH:40][c:41]1[P:42]([c:43]1[cH:44][cH:45][cH:46][cH:47][c:48]1[CH3:49])[c:50]1[cH:51][cH:52][cH:53][cH:54][c:55]1[CH3:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][c:12]3[cH:13][cH:14][c:15]([CH:25]=[CH:24][C:23](=[O:26])[O:27][CH2:28][CH3:29])[n:16][c:17]3[N:18]2[CH:19]([CH3:21])[CH2:20]1

Participants

9

Reactant 8

HCID 175AcetateHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 1140TolueneHCID 8821Ethyl AcrylateHCID 80271Tri-o-tolylphosphineHCID 87797446Tert-butyl 4-bromo-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene-11-carboxylateHCID 178455862HCID 178455862, compound

Product 1

HCID 178470847HCID 178470847, compound

Sources & evidence

ORD record
ord-38acbaec21e44f39a0ef17def6cfd7f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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