Aniline → HCID 178498342, compound

HRID 146641Notes

Reaction equation

[CH2:76]([Cl:77])[Cl:78].[CH3:56][O:57][C:58]([c:59]1[c:60]([F:67])[cH:61][c:62]([NH2:66])[c:63]([F:65])[cH:64]1)=[O:68].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[c:3]([F:31])[c:4]([CH:8]2[CH:9]([C:28](=[O:29])[OH:30])[NH:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1.[NH2:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[c:41]1([P:42]([Cl:43])([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)=[O:50])[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[Cl:1][c:2]1[c:3]([F:31])[c:4]([CH:8]2[CH:9]([C:28](=[O:30])[NH:66][c:62]3[cH:61][c:60]([F:67])[c:59]([C:58]([O:57][CH3:56])=[O:68])[cH:64][c:63]3[F:65])[NH:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1

Participants

Reactant 6

HCID 6115Aniline

HCID 6344Dichloromethane

HCID 73910Diphenylphosphinic chloride

HCID 81531Diisopropylethylamine

HCID 666882513-(3-Chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid

HCID 67271045Methyl 4-amino-2,5-difluorobenzoate

Product 1

HCID 178498342HCID 178498342, compound

Sources & evidence

ORD record: ord-fcc02684a6d24b22824f4fd48eaa576e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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