Hydrochloric Acid → HCID 86622859, compound

HRID 699968Notes

Reaction equation

[C:32]([BH3-:33])#[N:34].[CH3:29][OH:30].[CH3:39][CH2:40][O:41][CH2:42][CH3:43].[Cl:1][c:2]1[c:3]([NH:19][CH2:20][CH2:21][CH2:22][C:23]2([CH3:28])[O:24][CH2:25][CH2:26][O:27]2)[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2.[Cl:36][CH2:37][Cl:38].[ClH:31].[Na+:35]>>[Cl:1][c:2]1[c:3]([N:19]2[CH2:20][CH2:21][CH2:22][CH:23]2[CH3:28])[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2

Participants

Reactant 7

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 923Sodium ion

HCID 3283Diethyl Ether

HCID 6344Dichloromethane

HCID 498716Cyano-borohydride

HCID 866228607-chloro-3-(2,2,2-trifluoroacetyl)-6-[3-(2-methyl[1,3]dioxolan-2-yl)-propylamino]-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Product 1

HCID 86622859HCID 86622859, compound

Sources & evidence

ORD record: ord-d1967f3ed6ea482f97167ae11dd80c8b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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