Ammonium → 3-Chloro-1-(4-isopropoxyphenyl)-5-(5-trifluoromethylpyridin-2-yl)indole-2-carboxylic acid ethyl ester

HRID 120622Notes

Reaction equation

HRID 120622 reaction equation
[Br:6][c:7]1[n:8][cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]1.[C:1]([Li:2])([CH3:3])([CH3:4])[CH3:5].[CH2:17]([CH3:18])[O:19][C:20](=[O:21])[c:22]1[n:23](-[c:33]2[cH:34][cH:35][c:36]([O:39][CH:40]([CH3:41])[CH3:42])[cH:37][cH:38]2)[c:24]2[cH:25][cH:26][c:27]([Br:32])[cH:28][c:29]2[c:30]1[Cl:31].[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:46][CH2:47][O:48][CH2:49][CH3:50].[CH3:53][N:54]1[CH2:55][CH2:56][CH2:57][C:58]1=[O:59].[Cl-:43].[ClH:45].[Cu:51][I:52].[NH4+:44]>>[c:7]1(-[c:27]2[cH:26][cH:25][c:24]3[n:23](-[c:33]4[cH:34][cH:35][c:36]([O:39][CH:40]([CH3:41])[CH3:42])[cH:37][cH:38]4)[c:22]([C:20]([O:19][CH2:17][CH3:18])=[O:21])[c:30]([Cl:31])[c:29]3[cH:28]2)[n:8][cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]1

Participants

11

Reactant 10

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 13387N-methyl-2-pyrrolidoneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 27364342-Bromo-5-(trifluoromethyl)pyridineHCID 686966545-Bromo-3-chloro-1-(4-isopropoxyphenyl)indole-2-carboxylic acid ethyl esterHCID 178418306HCID 178418306, compound

Product 1

HCID 684751033-Chloro-1-(4-isopropoxyphenyl)-5-(5-trifluoromethylpyridin-2-yl)indole-2-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-560d6b99bfda4310b50866e30bd88512
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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