Dichloromethane → 6-(N'-tert-Butoxycarbonylhydrazino)-2-(2-chlorophenylamino)-3,4-difluorobenzoic acid methyl ester

HRID 688798Notes

Reaction equation

HRID 688798 reaction equation
[C:10](=[O:11])([O-:12])[O-:13].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][NH2:8])=[O:9].[CH2:37]([Cl:38])[Cl:39].[CH3:16][O:17][C:18]([c:19]1[c:20]([NH:28][c:29]2[c:30]([Cl:35])[cH:31][cH:32][cH:33][cH:34]2)[c:21]([F:27])[c:22]([F:26])[cH:23][c:24]1[Br:25])=[O:36].[Cs+:14].[Cs+:15].[Fe+2:132].[O:42]=[C:43]([CH:44]=[CH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[Pd:40].[Pd:41].[cH:114]1[cH:115][cH:116][c:117]([P:118]([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c-:125]2[cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1.[cH:96]1[cH:97][cH:98][c:99]([P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c-:107]2[cH:108][cH:109][cH:110][cH:111]2)[cH:112][cH:113]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][NH:8][c:24]1[c:19]([C:18]([O:17][CH3:16])=[O:36])[c:20]([NH:28][c:29]2[c:30]([Cl:35])[cH:31][cH:32][cH:33][cH:34]2)[c:21]([F:27])[c:22]([F:26])[cH:23]1)=[O:9]

Participants

10

Reactant 9

HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 23938Palladium2×HCID 27284Ferrous cationHCID 70091tert-Butyl carbazateHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 865985926-Bromo-2-(2-chlorophenylamino)-3,4-difluorobenzoic acid methyl esterHCID 178420532HCID 178420532, compound2×

Product 1

HCID 865985976-(N'-tert-Butoxycarbonylhydrazino)-2-(2-chlorophenylamino)-3,4-difluorobenzoic acid methyl ester

Sources & evidence

ORD record
ord-940d70bf5b0749daba9adc3fb0db26d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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