Toluene → Rac-Efavirenz

HRID 2318105Notes

Reaction equation

HRID 2318105 reaction equation
[C:20](=[O:21])([n:22]1[cH:23][cH:24][n:25][cH:26]1)[n:27]1[cH:28][cH:29][n:30][cH:31]1.[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Cl:1][c:2]1[cH:3][c:4]([C:9]([C:10]([F:11])([F:12])[F:13])([C:14]#[C:15][CH:16]2[CH2:17][CH2:18]2)[OH:19])[c:5]([NH2:6])[cH:7][cH:8]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:7][cH:8]1)[NH:6][C:20](=[O:21])[O:19][C:9]2([C:10]([F:11])([F:12])[F:13])[C:14]#[C:15][CH:16]1[CH2:17][CH2:18]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 682631,1'-CarbonyldiimidazoleHCID 98389352-(2-Amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluoro-3-butyn-2-ol

Product 1

HCID 3203Rac-Efavirenz

Sources & evidence

ORD record
ord-d957bbe69f0045daaab5df53f78f705f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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