Acetate → Phenylmethyl 6-[3-(1,1-dimethylethyl)-5-(ethoxycarbonyl)-1H-pyrazol-1-yl]-3,4-dihydro-2(1H)-isoquinolinecarboxylate

HRID 1559927Notes

Reaction equation

HRID 1559927 reaction equation
[C:30]([CH3:31])([CH3:32])([CH3:33])[c:34]1[n:35][nH:36][c:37]([C:39](=[O:40])[O:41][CH2:42][CH3:43])[cH:38]1.[C:48]([O-:49])(=[O:50])[CH3:51].[C:53]([O-:54])(=[O:55])[CH3:56].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][c:13]2[cH:14][cH:15][c:16]([B:21]([OH:22])[OH:23])[cH:17][c:18]2[CH2:19][CH2:20]1.[Cl:44][CH2:45][Cl:46].[Cu+2:52].[OH2:47].[cH:24]1[cH:25][cH:26][n:27][cH:28][cH:29]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][c:13]2[cH:14][cH:15][c:16](-[n:36]3[n:35][c:34]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:38][c:37]3[C:39](=[O:40])[O:41][CH2:42][CH3:43])[cH:17][c:18]2[CH2:19][CH2:20]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 962WaterHCID 1049PyridineHCID 6344DichloromethaneHCID 27099Cupric cationHCID 2743509Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylateHCID 67252216HCID 67252216, compound

Product 1

HCID 67253043Phenylmethyl 6-[3-(1,1-dimethylethyl)-5-(ethoxycarbonyl)-1H-pyrazol-1-yl]-3,4-dihydro-2(1H)-isoquinolinecarboxylate

Sources & evidence

ORD record
ord-a1adf0b00d3a47f19970b024af5dfb9e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…