Ammonium → HCID 76314158, compound

HRID 96643Notes

Reaction equation

[CH3:38][CH2:39][OH:40].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH:13]([C:33]#[C:34][CH3:35])[N:14]([c:17]3[cH:18][cH:19][c:20]([C:23]([C:24]([F:25])([F:26])[F:27])([C:28]([F:29])([F:30])[F:31])[OH:32])[cH:21][cH:22]3)[CH2:15][CH2:16]2)[cH:6][n:7]1.[NH4+:36].[OH-:37]>>[c:2]1([NH2:36])[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH:13]([C:33]#[C:34][CH3:35])[N:14]([c:17]3[cH:18][cH:19][c:20]([C:23]([C:24]([F:25])([F:26])[F:27])([C:28]([F:29])([F:30])[F:31])[OH:32])[cH:21][cH:22]3)[CH2:15][CH2:16]2)[cH:6][n:7]1

Participants

Reactant 4

HCID 223Ammonium

HCID 702Ethanol

HCID 961Hydroxide

HCID 866704192-(4-(4-((6-Chloro-3-pyridinyl)sulfonyl)-2-(1-propyn-1-yl)-1-piperazinyl)phenyl)-1,1,1,3,3,3-hexafluoro-2-propanol

Product 1

HCID 76314158HCID 76314158, compound

Sources & evidence

ORD record: ord-b51d10290c0240f5b4ed2c4c8b90ef53
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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