Chloride → Methyl (4-cyano-2-cyclopropyl-5-methyl-6-phenyl-1,3-benzoxazol-7-yl)acetate

HRID 141501

Reaction equation

HRID 141501 reaction equation
[C:1](#[N:2])[c:3]1[c:4]([CH3:30])[c:5](-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:6]([CH:15]([C:16](=[O:17])[O:18][CH3:19])[C:20]([O:21][CH3:22])=[O:23])[c:7]2[c:8]1[n:9][c:10]([CH:12]1[CH2:13][CH2:14]1)[o:11]2.[CH3:34][S:35](=[O:36])[CH3:37].[Cl-:31].[Cl-:33].[Mg+2:32].[OH2:38]>>[C:1](#[N:2])[c:3]1[c:4]([CH3:30])[c:5](-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:6]([CH2:15][C:16](=[O:17])[O:18][CH3:19])[c:7]2[c:8]1[n:9][c:10]([CH:12]1[CH2:13][CH2:14]1)[o:11]2

Participants

6

Reactant 5

HCID 312Chloride2×HCID 679Dimethyl SulfoxideHCID 888Magnesium CationHCID 962WaterHCID 86630880Dimethyl 2-(4-cyano-2-cyclopropyl-5-methyl-6-phenyl-1,3-benzoxazol-7-yl)malonate

Product 1

HCID 86630881Methyl (4-cyano-2-cyclopropyl-5-methyl-6-phenyl-1,3-benzoxazol-7-yl)acetate

Sources & evidence

ORD record
ord-b795e2d3aa7540428de72cf9e05a9626
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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