Acetic Acid → HCID 21254089, compound

HRID 108232Notes

Reaction equation

HRID 108232 reaction equation
[CH2:1]([O:2][C:3](=[O:4])[N:10]([CH2:11][CH2:12][CH2:13][CH2:14][c:15]1[cH:16][cH:17][c:18]([NH:21][S:22](=[O:23])(=[O:24])[CH3:25])[cH:19][cH:20]1)[CH2:26][CH2:27][c:28]1[c:29](-[c:47]2[cH:48][c:49]([CH3:54])[cH:50][c:51]([CH3:53])[cH:52]2)[nH:30][c:31]2[cH:32][cH:33][c:34]([C:37]([C:38]([N:39]3[CH2:40][CH2:41][CH2:42][CH2:43]3)=[O:44])([CH3:45])[CH3:46])[cH:35][c:36]12)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:55]1.[CH3:56][CH2:57][OH:58].[CH3:66][C:67](=[O:68])[OH:69].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[H:59][H:60].[NH4+:62].[OH-:61].[OH-:63].[OH-:65].[Pd+2:64]>>[NH:10]([CH2:11][CH2:12][CH2:13][CH2:14][c:15]1[cH:16][cH:17][c:18]([NH:21][S:22](=[O:23])(=[O:24])[CH3:25])[cH:19][cH:20]1)[CH2:26][CH2:27][c:28]1[c:29](-[c:47]2[cH:48][c:49]([CH3:54])[cH:50][c:51]([CH3:53])[cH:52]2)[nH:30][c:31]2[cH:32][cH:33][c:34]([C:37]([C:38]([N:39]3[CH2:40][CH2:41][CH2:42][CH2:43]3)=[O:44])([CH3:45])[CH3:46])[cH:35][c:36]12

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 223AmmoniumHCID 702EthanolHCID 961Hydroxide3×HCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 70223390HCID 70223390, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 21254089HCID 21254089, compound

Sources & evidence

ORD record
ord-adbcbfee4bd04769887ba6145e2e7c37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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