Acetate → HCID 57460478, compound

HRID 1216536Notes

Reaction equation

HRID 1216536 reaction equation
[C:48]([O-:49])(=[O:50])[CH3:51].[C:53]([O-:54])(=[O:55])[CH3:56].[CH2:1]([CH3:2])[c:3]1[n:4][c:5]([CH3:25])[nH:6][c:7](=[O:24])[c:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]2[c:17]([C:22]#[N:23])[cH:18][cH:19][cH:20][cH:21]2)[cH:14][cH:15]1.[CH2:63]([Cl:64])[Cl:65].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cu+2:52].[OH:26][B:27]([OH:28])[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]([CH3:25])[n:6](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:7](=[O:24])[c:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]2[c:17]([C:22]#[N:23])[cH:18][cH:19][cH:20][cH:21]2)[cH:14][cH:15]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 27099Cupric cationHCID 66827Phenylboronic AcidHCID 135428141HCID 135428141, compound

Product 1

HCID 57460478HCID 57460478, compound

Sources & evidence

ORD record
ord-c3cd6107dfaf4eec8a4257f5528efad8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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