Acetate → Methyl 2-(4-fluoroanilino)-4-iodobenzoate

HRID 1561112Notes

Reaction equation

HRID 1561112 reaction equation
[C:48]([O-:49])(=[O:50])[CH3:51].[C:53]([O-:54])(=[O:55])[CH3:56].[CH3:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][C:24](=[O:25])[OH:26].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[ClH:47].[Cu+2:52].[NH2:35][c:36]1[c:37]([C:38](=[O:39])[O:40][CH3:41])[cH:42][cH:43][c:44]([I:46])[cH:45]1.[OH:1][B:2]([OH:3])[c:4]1[cH:5][cH:6][c:7]([F:8])[cH:9][cH:10]1.[n:27]1[c:28]([CH3:29])[cH:30][cH:31][cH:32][c:33]1[CH3:34]>>[c:4]1([NH:35][c:36]2[c:37]([C:38](=[O:39])[O:40][CH3:41])[cH:42][cH:43][c:44]([I:46])[cH:45]2)[cH:5][cH:6][c:7]([F:8])[cH:9][cH:10]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 1140TolueneHCID 79372,6-LutidineHCID 8857Ethyl AcetateHCID 11005Myristic AcidHCID 27099Cupric cationHCID 2856454-Fluorophenylboronic acidHCID 18929930Methyl 2-amino-4-iodobenzoate

Product 1

HCID 57667861Methyl 2-(4-fluoroanilino)-4-iodobenzoate

Sources & evidence

ORD record
ord-55d5fdb30bcf4931b8ffe1e6f6140173
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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