Methanol → HCID 68527157, compound

HRID 666750Notes

Reaction equation

HRID 666750 reaction equation
[CH3:44][OH:45].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[CH3:59][CH2:60][CH2:61][CH2:62][CH2:63][CH3:64].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:7](-[c:32]3[cH:33][n:34][n:35]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[cH:36]3)[n:8][n:9]([C:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:10]2[cH:11][cH:12]1.[Pd:52]>>[NH2:1][c:4]1[cH:5][c:6]2[c:7](-[c:32]3[cH:33][n:34][n:35]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[cH:36]3)[n:8][n:9]([C:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:10]2[cH:11][cH:12]1

Participants

6

Reactant 5

HCID 887MethanolHCID 8058HexaneHCID 8857Ethyl Acetate2×HCID 23938PalladiumHCID 68530714HCID 68530714, compound

Product 1

HCID 68527157HCID 68527157, compound

Sources & evidence

ORD record
ord-d806545015924a06ba63c3a65ad9a5d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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