Acetate → HCID 57460876, compound

HRID 1568444Notes

Reaction equation

HRID 1568444 reaction equation
[C:29]([CH3:30])(=[O:31])[O:32][CH2:33][C:34]([O:35][c:36]1[cH:37][cH:38][c:39]([B:42]([OH:43])[OH:44])[cH:40][cH:41]1)([CH3:45])[CH3:46].[C:69]([O-:70])(=[O:71])[CH3:72].[C:74]([O-:75])(=[O:76])[CH3:77].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH2:27][CH3:28])[nH:8][c:9](=[O:26])[c:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1.[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[Cl:60][CH2:61][Cl:62].[Cu+2:73].[cH:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH2:27][CH3:28])[n:8](-[c:39]2[cH:38][cH:37][c:36]([O:35][C:34]([CH2:33][O:32][C:29]([CH3:30])=[O:31])([CH3:45])[CH3:46])[cH:41][cH:40]2)[c:9](=[O:26])[c:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 27099Cupric cationHCID 57460875HCID 57460875, compoundHCID 136026886HCID 136026886, compound

Product 1

HCID 57460876HCID 57460876, compound

Sources & evidence

ORD record
ord-6ea20013097645df90ec8a7340c66538
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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