Hydrochloric Acid → (1-(2,6-Dimethylphenyl)pyrrolidin-3-yl)methanol

HRID 663390Notes

Reaction equation

HRID 663390 reaction equation
[Br:1][c:2]1[c:3]([CH3:9])[cH:4][cH:5][cH:6][c:7]1[CH3:8].[C:58](=[O:59])([OH:60])[O-:61].[CH3:105][CH2:106][O:107][C:108](=[O:109])[CH3:110].[CH3:47][Si:48]([CH3:49])([CH3:50])[N-:51][Si:52]([CH3:53])([CH3:54])[CH3:55].[CH:18]1([P:19]([CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2-[c:32]2[c:33]([O:34][CH3:35])[cH:36][cH:37][cH:38][c:39]2[O:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[CH:69](=[CH:70][C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)=[O:80])[c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[CH:87](=[CH:88][C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)=[O:98])[c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[ClH:10].[Li+:56].[NH:11]1[CH2:12][CH:13]([CH2:16][OH:17])[CH2:14][CH2:15]1.[Na+:62].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[OH2:57].[Pd:68]>>[c:2]1([N:11]2[CH2:12][CH:13]([CH2:16][OH:17])[CH2:14][CH2:15]2)[c:3]([CH3:9])[cH:4][cH:5][cH:6][c:7]1[CH3:8]

Participants

14

Reactant 13

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 23938PalladiumHCID 28486Lithium ionHCID 684712-Bromo-m-xyleneHCID 95417Dibenzylidene acetone2×HCID 3280088Npc316347HCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 13400657(Pyrrolidin-3-yl)methanol

Product 1

HCID 24275467(1-(2,6-Dimethylphenyl)pyrrolidin-3-yl)methanol

Sources & evidence

ORD record
ord-c77df033a3e14e149936e05e04f0a0fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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