Acetate → HCID 67271083, compound

HRID 2342995Notes

Reaction equation

HRID 2342995 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][nH:7][c:8]([C:10](=[O:11])[O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:9]1.[C:20]([c:21]1[cH:22][c:23]([C:24]([O:25][CH2:26][CH3:27])=[O:28])[nH:29][n:30]1)([CH3:31])([CH3:32])[CH3:33].[C:34]([CH3:35])([CH3:36])([CH3:37])[O:38][C:39](=[O:40])[N:41]1[CH2:42][c:43]2[cH:44][cH:45][c:46]([B:55]([OH:56])[OH:57])[cH:47][c:48]2[CH2:49][CH:50]1[C:51](=[O:52])[O:53][CH3:54].[C:67]([O-:68])(=[O:69])[CH3:70].[C:72]([O-:73])(=[O:74])[CH3:75].[CH2:64]([Cl:65])[Cl:66].[Cu+2:71].[cH:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:46]2[cH:45][cH:44][c:43]3[c:48]([cH:47]2)[CH2:49][CH:50]([C:51](=[O:52])[O:53][CH3:54])[N:41]([C:39]([O:38][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:40])[CH2:42]3)[c:8]([C:10](=[O:11])[O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:9]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 27099Cupric cationHCID 2743509Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylateHCID 57355547[2-(tert-Butoxycarbonyl)-3-(methoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]boronic acidHCID 178441086HCID 178441086, compound

Product 1

HCID 67271083HCID 67271083, compound

Sources & evidence

ORD record
ord-cccf032a1bc742fe9266d48b5c954181
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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