Hydrochloric Acid → Diclopentezol

HRID 2125154Notes

Reaction equation

HRID 2125154 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:6]=[C:7]([n:8]2[cH:9][n:10][cH:11][n:12]2)[C:13](=[O:14])[C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][cH:20]1.[Cl:21][c:22]1[c:23]([CH:29]=[C:30]([C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[n:37]2[n:38][cH:39][n:40][cH:41]2)[cH:24][cH:25][c:26]([Cl:28])[cH:27]1.[ClH:101].[ClH:121].[ClH:42].[ClH:63].[ClH:81].[NH2:102][CH:103]([CH3:104])[C:105]([CH2:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1)([CH2:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1)[OH:120].[NH2:122][CH:123]([CH2:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1)[CH2:131][OH:132].[NH2:43][CH:44]([CH2:45][CH:46]([CH3:47])[CH3:48])[C:49]([c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)([c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)[OH:62].[NH2:64][CH:65]([CH3:66])[C:67]([c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)([c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[OH:80].[NH2:82][CH:83]([CH:84]([CH3:85])[CH3:86])[C:87]([c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)([c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[OH:100]>>[Cl:21][c:22]1[c:23]([CH:29]=[C:30]([CH:31]([C:32]([CH3:33])([CH3:34])[CH3:35])[OH:36])[n:37]2[n:38][cH:39][n:40][cH:41]2)[cH:24][cH:25][c:26]([Cl:28])[cH:27]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid5×HCID 76652DL-PhenylalaninolHCID 2341582-Amino-1,1-diphenylpropan-1-olHCID 33723782-Amino-4-methyl-1,1-diphenylpentan-1-olHCID 38082422-Amino-3-methyl-1,1-diphenylbutan-1-olHCID 197713513-Amino-2-benzyl-1-phenylbutan-2-olHCID 540228171-(4-Chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-oneHCID 540307821-(2,4-Dichlorophenyl)-2-(1,2,4-triazol-1-yl)-4,4-dimethyl1-penten-3-one

Product 1

HCID 91738Diclopentezol

Sources & evidence

ORD record
ord-557c119589a4471299b664ea57fe24cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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