Acetate → HCID 77573883, compound

HRID 1114469Notes

Reaction equation

HRID 1114469 reaction equation
[C:1]([CH:2]=[CH2:3])(=[O:4])[O:5][CH3:6].[C:54]([O-:55])(=[O:56])[CH3:57].[C:59]([O-:60])(=[O:61])[CH3:62].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[Cl-:48].[I:7][c:8]1[n:9][n:10]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[c:11]2[cH:12][cH:13][c:14]([NH:17][S:18](=[O:19])(=[O:20])[c:21]3[c:22]([S:27](=[O:28])(=[O:29])[CH3:30])[cH:23][cH:24][cH:25][cH:26]3)[cH:15][c:16]12.[Li+:47].[OH2:63].[Pd+2:58]>>[C:1]([CH:2]=[CH:3][c:8]1[n:9][n:10]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[c:11]2[cH:12][cH:13][c:14]([NH:17][S:18](=[O:19])(=[O:20])[c:21]3[c:22]([S:27](=[O:28])(=[O:29])[CH3:30])[cH:23][cH:24][cH:25][cH:26]3)[cH:15][c:16]12)(=[O:4])[O:5][CH3:6]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 312ChlorideHCID 962WaterHCID 6228DimethylformamideHCID 7294Methyl AcrylateHCID 28486Lithium ionHCID 81531DiisopropylethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 22567134Tert-butyl 3-iodo-5-(2-methylsulfonylbenzenesulfonylamino)indazole-1-carboxylate

Product 1

HCID 77573883HCID 77573883, compound

Sources & evidence

ORD record
ord-2afe4aa59b014bab82c2ca48a42137d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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