Ammonium → N-[1-(2-phenylethyl)-4-ethoxycarbonylpyrazol-3-yl]-N-[(2'-(N-triphenylmethyl-(1H-tetrazol-5-yl))biphenyl-4-yl) methyl]amine

HRID 124391Notes

Reaction equation

HRID 124391 reaction equation
[Br:34][CH2:35][c:36]1[cH:37][cH:38][c:39](-[c:42]2[c:43](-[c:48]3[n:49][n:50][n:51][n:52]3[C:53]([c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)([c:60]3[cH:61][cH:62][cH:63][cH:64][cH:65]3)[c:66]3[cH:67][cH:68][cH:69][cH:70][cH:71]3)[cH:44][cH:45][cH:46][cH:47]2)[cH:40][cH:41]1.[CH2:1]1[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH2:74]1[O:75][CH2:76][CH2:77][CH2:78]1.[CH3:79][N:80]1[CH2:81][CH2:82][CH2:83][N:84]([CH3:85])[C:86]1=[O:87].[CH:7]([N-:8][CH:9]([CH3:10])[CH3:11])([CH3:12])[CH3:13].[Cl-:72].[Li+:14].[NH4+:73].[c:15]1([CH2:21][CH2:22][n:23]2[n:24][c:25]([NH2:33])[c:26]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:27]2)[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[c:15]1([CH2:21][CH2:22][n:23]2[n:24][c:25]([NH:33][CH2:35][c:36]3[cH:37][cH:38][c:39](-[c:42]4[c:43](-[c:48]5[n:49][n:50][n:51][n:52]5[C:53]([c:54]5[cH:55][cH:56][cH:57][cH:58][cH:59]5)([c:60]5[cH:61][cH:62][cH:63][cH:64][cH:65]5)[c:66]5[cH:67][cH:68][cH:69][cH:70][cH:71]5)[cH:44][cH:45][cH:46][cH:47]4)[cH:40][cH:41]3)[c:26]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:27]2)[cH:16][cH:17][cH:18][cH:19][cH:20]1

Participants

10

Reactant 9

HCID 223AmmoniumHCID 312ChlorideHCID 8028TetrahydrofuranHCID 8078CyclohexaneHCID 28486Lithium ionHCID 816462(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-HCID 5062348DiisopropylamideHCID 100534615-(4'-(Bromomethyl)(1,1'-biphenyl)-2-yl)-1-trityl-1H-tetraazoleHCID 221038291-(2-Phenylethyl)-3-amino-4-ethoxycarbonylpyrazole

Product 1

HCID 67637880N-[1-(2-phenylethyl)-4-ethoxycarbonylpyrazol-3-yl]-N-[(2'-(N-triphenylmethyl-(1H-tetrazol-5-yl))biphenyl-4-yl) methyl]amine

Sources & evidence

ORD record
ord-4709d836611140a79d68fae35d3843b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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