Acetic Acid → HCID 59944552, compound

HRID 2350493Notes

Reaction equation

HRID 2350493 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH2:9][CH2:10][c:11]1[c:12](-[c:28]2[cH:29][c:30]([CH3:35])[cH:31][c:32]([CH3:34])[cH:33]2)[nH:13][c:14]2[cH:15][cH:16][c:17]([NH:20][C:21](=[O:22])[N:23]3[CH2:24][CH2:25][CH2:26][CH2:27]3)[cH:18][c:19]12)[CH2:36][CH2:37][CH2:38][CH2:39][c:40]1[cH:41][cH:42][c:43]([NH:46][S:47](=[O:48])(=[O:49])[CH3:50])[cH:44][cH:45]1.[CH3:51][C:52](=[O:53])[OH:54].[CH3:62][OH:63].[H:55][H:56].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH-:65].[OH-:67].[OH2:64].[Pd+2:66]>>[NH:8]([CH2:9][CH2:10][c:11]1[c:12](-[c:28]2[cH:29][c:30]([CH3:35])[cH:31][c:32]([CH3:34])[cH:33]2)[nH:13][c:14]2[cH:15][cH:16][c:17]([NH:20][C:21](=[O:22])[N:23]3[CH2:24][CH2:25][CH2:26][CH2:27]3)[cH:18][c:19]12)[CH2:36][CH2:37][CH2:38][CH2:39][c:40]1[cH:41][cH:42][c:43]([NH:46][S:47](=[O:48])(=[O:49])[CH3:50])[cH:44][cH:45]1

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 53781390HCID 53781390, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 59944552HCID 59944552, compound

Sources & evidence

ORD record
ord-8933428be41a4b1ca6dca46d6d6127cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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