Acetate → HCID 56946585, compound

HRID 317315Notes

Reaction equation

HRID 317315 reaction equation
[Br:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[C:26](=[O:27])([O-:28])[O-:29].[CH3:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[Cs+:30].[Cs+:31].[NH2:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:18]1)-[c:7]1[c:8]([cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[NH:9][C:10](=[O:12])[CH2:11]2.[O-:86][C:87]([CH3:88])=[O:89].[O-:90][C:91]([CH3:92])=[O:93].[OH2:94].[Pd+2:85].[cH:32]1[cH:33][cH:34][c:35]([P:36]([c:37]2[cH:38][cH:39][c:40]3[c:41]([cH:42][cH:43][cH:44][cH:45]3)[c:46]2-[c:47]2[c:48]3[c:49]([cH:50][cH:51][cH:52][cH:53]3)[cH:54][cH:55][c:56]2[P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77]1>>[NH:1]([c:2]1[n:3][cH:4][c:5]2[c:6]([n:18]1)-[c:7]1[c:8]([cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[NH:9][C:10](=[O:12])[CH2:11]2)[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 962WaterHCID 1140TolueneHCID 7961BromobenzeneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 59851096HCID 59851096, compound

Product 1

HCID 56946585HCID 56946585, compound

Sources & evidence

ORD record
ord-4ef4bcd7c11a4f0f86035cbc3524862b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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