Ammonium → Methyl 2-[3-chloro-4-(5-methyltetrazol-1-yl)phenyl]-3-cyclohexylprop-2-enoate

HRID 676435Notes

Reaction equation

HRID 676435 reaction equation
[Br:1][CH2:2][CH2:3][Br:4].[CH3:10][O:11][C:12]([C:13](=[CH:14][CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]1)[I:21])=[O:22].[CH3:5][Si:6]([Cl:7])([CH3:8])[CH3:9].[CH:65](=[CH:66][C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)=[O:76])[c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[CH:83](=[CH:84][C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)=[O:94])[c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Cl-:56].[Cl:42][c:43]1[c:44](-[n:50]2[n:51][n:52][n:53][c:54]2[CH3:55])[cH:45][cH:46][c:47]([I:49])[cH:48]1.[NH4+:57].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[Pd:64].[Zn:63].[c:23]1([P:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[CH3:10][O:11][C:12]([C:13](=[CH:14][CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]1)[c:47]1[cH:46][cH:45][c:44](-[n:50]2[n:51][n:52][n:53][c:54]2[CH3:55])[c:43]([Cl:42])[cH:48]1)=[O:22]

Participants

12

Reactant 11

HCID 223AmmoniumHCID 312ChlorideHCID 6397ChlorotrimethylsilaneHCID 78391,2-DibromoethaneHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 23938PalladiumHCID 23994ZincHCID 95417Dibenzylidene acetone2×HCID 184343541-(2-chloro-4-iodo-phenyl)-5-methyl-1H-tetrazoleHCID 54237138Methyl 3-cyclohexyl-2-iodoprop-2-enoate

Product 1

HCID 69692653Methyl 2-[3-chloro-4-(5-methyltetrazol-1-yl)phenyl]-3-cyclohexylprop-2-enoate

Sources & evidence

ORD record
ord-a1bc90de25a1462d94306684d5da15f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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