Butanal → HCID 178448429, compound

HRID 699700Notes

Reaction equation

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

Participants

Reactant 5

HCID 261Butanal

HCID 887Methanol

HCID 6212Chloroform

HCID 6344Dichloromethane

HCID 68905806{4-[5-(2,5-Diaza-bicyclo[2.2.1]hept-2-yl)-imidazo[1,2-c]pyrimidin-7-yl]-pyridin-2-yl}-(1-phenyl-ethyl)-amine

Product 1

HCID 178448429HCID 178448429, compound

Sources & evidence

ORD record: ord-95bd5caef1334dc884ed6b5f993eaeb5
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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