Acetate → Hydrochloric Acid

HRID 294152

Reaction equation

HRID 294152 reaction equation
[C:10]([c:11]1[cH:12][c:13]([OH:14])[c:15]([OH:18])[cH:16][cH:17]1)([CH3:19])([CH3:20])[CH3:21].[C:6](#[N:7])[BH3-:8].[CH2:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[C:29](=[O:30])[c:31]1[cH:32][cH:33][c:34]([CH2:37][CH2:38][Br:39])[cH:35][cH:36]1.[CH3:2][C:3](=[O:4])[O-:5].[CH3:41][OH:42].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[ClH:40].[NH4+:1].[Na+:9].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1>>[ClH:40].[NH2:7][CH:29]([CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:31]1[cH:32][cH:33][c:34]([CH2:37][CH2:38][Br:39])[cH:35][cH:36]1

Participants

12

Reactant 10

HCID 175AcetateHCID 223AmmoniumHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 73814-tert-ButylcatecholHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 498716Cyano-borohydrideHCID 125415274-(2-Bromoethyl)-phenyl benzyl ketone

Product 2

HCID 313Hydrochloric AcidHCID 761416021-[4-(2-Bromoethyl)phenyl]-2-phenylethanamine

Sources & evidence

ORD record
ord-8bfef942f5984fccb69f595476c2db14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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