Water → HCID 23021902, compound

HRID 1148952Notes

Reaction equation

HRID 1148952 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:12])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[C:18](=[O:19])([O-:20])[O-:21].[CH2:13]1[CH2:14][CH2:15][NH:16][CH2:17]1.[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH3:88][CH2:89][O:90][C:91]([CH3:92])=[O:93].[CH:34](=[CH:35][C:36]([CH:37]=[CH:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)=[O:45])[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH:52](=[CH:53][C:54]([CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)=[O:63])[c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[CH:70](=[CH:71][C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)=[O:81])[c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[Cs+:22].[Cs+:23].[OH2:24].[Pd:32].[Pd:33]>>[c:2]1([N:16]2[CH2:15][CH2:14][CH2:13][CH2:17]2)[cH:3][c:4]([CH3:12])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1

Participants

10

Reactant 9

HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 23938Palladium2×HCID 31268PyrrolidineHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 22031226Methyl 4-bromo-2-methylbenzoate

Product 1

HCID 23021902HCID 23021902, compound

Sources & evidence

ORD record
ord-dd7e59f7e9e34b978170996b6b01b5bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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