Acetic Acid → HCID 18914268, compound

HRID 1231702Notes

Reaction equation

HRID 1231702 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH2:9][CH2:10][CH2:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([NH:19][S:20](=[O:21])(=[O:22])[CH3:23])[cH:17][cH:18]1)[CH2:24][CH2:25][c:26]1[c:27](-[c:41]2[cH:42][c:43]([CH3:48])[cH:44][c:45]([CH3:47])[cH:46]2)[nH:28][c:29]2[cH:30][cH:31][c:32]([NH:35][C:36](=[O:37])[N:38]([CH3:39])[CH3:40])[cH:33][c:34]12.[CH3:49][C:50](=[O:51])[OH:52].[CH3:60][OH:61].[H:53][H:54].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH-:63].[OH-:65].[OH2:62].[Pd+2:64]>>[NH:8]([CH2:9][CH2:10][CH2:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([NH:19][S:20](=[O:21])(=[O:22])[CH3:23])[cH:17][cH:18]1)[CH2:24][CH2:25][c:26]1[c:27](-[c:41]2[cH:42][c:43]([CH3:48])[cH:44][c:45]([CH3:47])[cH:46]2)[nH:28][c:29]2[cH:30][cH:31][c:32]([NH:35][C:36](=[O:37])[N:38]([CH3:39])[CH3:40])[cH:33][c:34]12

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 961Hydroxide2×HCID 962WaterHCID 8028TetrahydrofuranHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 18914265HCID 18914265, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 18914268HCID 18914268, compound

Sources & evidence

ORD record
ord-69f0a0c275244069a855722cab59dd13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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