Acetate → HCID 57460308, compound

HRID 674793Notes

Reaction equation

HRID 674793 reaction equation
[C:57]([O-:58])(=[O:59])[CH3:60].[C:62]([O-:63])(=[O:64])[CH3:65].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([O: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.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:66][CH2:67][Cl:68].[Cu+2:61].[OH:29][B:30]([OH:31])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([O:27][CH3:28])[n:8](-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]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 66827Phenylboronic AcidHCID 136026892HCID 136026892, compound

Product 1

HCID 57460308HCID 57460308, compound

Sources & evidence

ORD record
ord-793ccd6883344edc9c69d9db5d9355a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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