Hydrochloric Acid → HCID 178426044, compound

HRID 2310776Notes

Reaction equation

[CH2:36]1[O:37][CH2:38][CH2:39][O:40][CH2:41]1.[CH2:43]([Cl:44])[Cl:45].[CH:1]([CH3:2])([CH3:3])[C:4]1([C:17](=[O:18])[N:19]2[CH2:20][CH2:21][N:22]([c:25]3[n:26][c:27]([CH3:35])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]3)[CH2:23][CH2:24]2)[CH2:5][CH:6]([NH:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:7][CH2:8]1.[ClH:42]>>[CH:1]([CH3:2])([CH3:3])[C:4]1([C:17](=[O:18])[N:19]2[CH2:20][CH2:21][N:22]([c:25]3[n:26][c:27]([CH3:35])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]3)[CH2:23][CH2:24]2)[CH2:5][CH:6]([NH2:9])[CH2:7][CH2:8]1

Participants

Reactant 4

HCID 313Hydrochloric Acid

HCID 6344Dichloromethane

HCID 312751,4-Dioxane

HCID 178426046tert-butyl N-[3-[4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-propan-2-ylcyclopentyl]carbamate

Product 1

HCID 178426044HCID 178426044, compound

Sources & evidence

ORD record: ord-32bfcd1e704c412c9de44709cc848edf
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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