Hydrochloric Acid → Methyl 4-[[2-[[[4-(4-bromophenoxy)phenyl]methyl-methylamino]methyl]pyrrolidin-1-yl]methyl]benzoate

HRID 124133Notes

Reaction equation

HRID 124133 reaction equation
[Br:2][c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]([CH2:14][N:15]([CH2:16][CH:17]3[NH:18][CH2:19][CH2:20][CH2:21]3)[CH3:22])[cH:12][cH:13]2)[cH:23][cH:24]1.[C:46]([O:47][BH-:48]([O:49][C:50](=[O:51])[CH3:52])[O:53][C:54](=[O:55])[CH3:56])(=[O:57])[CH3:58].[C:60](=[O:61])([OH:62])[O-:63].[CH:25](=[O:26])[c:27]1[cH:28][cH:29][c:30]([C:31](=[O:32])[O:33][CH3:34])[cH:35][cH:36]1.[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[Cl:65][CH:66]([Cl:67])[CH3:68].[ClH:1].[Na+:59].[Na+:64]>>[Br:2][c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]([CH2:14][N:15]([CH2:16][CH:17]3[N:18]([CH2:25][c:27]4[cH:28][cH:29][c:30]([C:31](=[O:32])[O:33][CH3:34])[cH:35][cH:36]4)[CH2:19][CH2:20][CH2:21]3)[CH3:22])[cH:12][cH:13]2)[cH:23][cH:24]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 63651,1-DichloroethaneHCID 15294Methyl 4-FormylbenzoateHCID 81531DiisopropylethylamineHCID 2724942TriacetoxyborohydrideHCID 68488975HCID 68488975, compound

Product 1

HCID 77504520Methyl 4-[[2-[[[4-(4-bromophenoxy)phenyl]methyl-methylamino]methyl]pyrrolidin-1-yl]methyl]benzoate

Sources & evidence

ORD record
ord-a563ea653c8848ef87d11b2c5d70590f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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