Acetate → HCID 69156557, compound

HRID 2350182Notes

Reaction equation

HRID 2350182 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:48][C:49]([CH3:50])([O-:51])[CH3:52].[CH3:8][O:9][C:10](=[O:11])[c:12]1[n:13]([CH2:30][c:31]2[cH:32][c:33]3[c:34]([cH:38][cH:39]2)[O:35][CH2:36][O:37]3)[c:14](=[O:29])[c:15]2[cH:16][cH:17][c:18]([Br:28])[cH:19][c:20]2[c:21]1-[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[NH2:40][CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Na+:53].[O-:55][C:56]([CH3:57])=[O:58].[O-:59][C:60]([CH3:61])=[O:62].[OH2:63].[Pd+2:54]>>[CH3:8][O:9][C:10](=[O:11])[c:12]1[n:13]([CH2:30][c:31]2[cH:32][c:33]3[c:34]([cH:38][cH:39]2)[O:35][CH2:36][O:37]3)[c:14](=[O:29])[c:15]2[cH:16][cH:17][c:18]([NH:40][CH2:41][c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[cH:19][c:20]2[c:21]1-[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 7504BenzylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 10239063HCID 10239063, compound

Product 1

HCID 69156557HCID 69156557, compound

Sources & evidence

ORD record
ord-5ab2ad99451b47d1a8d31f3b31d70a5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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