Hydrochloric Acid → Hydrochloric Acid

HRID 2126913Notes

Reaction equation

HRID 2126913 reaction equation
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:38][CH2:39][OH:40].[ClH:14].[ClH:37].[H-:36].[Na+:35].[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][I:13])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[o:15]1[c:16](-[c:24]2[cH:25][cH:26][c:27]([CH2:28][O:29][CH2:30][CH2:31][NH2:32])[cH:33][cH:34]2)[n:17][c:18]2[c:19]1[cH:20][cH:21][cH:22][cH:23]2>>[ClH:14].[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][NH:32][CH2:31][CH2:30][O:29][CH2:28][c:27]2[cH:26][cH:25][c:24](-[c:16]3[o:15][c:19]4[c:18]([n:17]3)[cH:23][cH:22][cH:21][cH:20]4)[cH:34][cH:33]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 7

HCID 313Hydrochloric Acid2×HCID 702EthanolHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 166653HydrideHCID 145296726-Phenyl-1-hexyl iodideHCID 194207512-[[4-(1,3-Benzoxazol-2-yl)phenyl]methoxy]ethanamine

Product 2

HCID 313Hydrochloric AcidHCID 15389015N-[2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]ethyl]-6-phenylhexan-1-amine

Sources & evidence

ORD record
ord-6a0acf3c613d46bea89e4f7c7e20333e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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