Ethanol → HCID 24949734, compound

HRID 117417Notes

Reaction equation

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

Participants

Reactant 4

HCID 702Ethanol

HCID 8471Triethylamine

HCID 176977alpha-Chlorobenzylidenemalononitrile

HCID 228881871-(1H-Indol-3-yl)-2-(1-piperazinyl)-1,2-ethanedione

Product 1

HCID 24949734HCID 24949734, compound

Sources & evidence

ORD record: ord-67effe3abd0941f49daca0ce64d52c43
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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