1-Butanol → HCID 178433985, compound

HRID 315216Notes

Reaction equation

HRID 315216 reaction equation
[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH:18]([CH3:19])[NH2:20])[c:9](-[c:12]3[s:13][c:14]([CH3:17])[n:15][n:16]3)[n:10][c:11]12.[Cl:30][c:31]1[c:32]2[nH:33][cH:34][n:35][c:36]2[n:37][cH:38][n:39]1>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH:18]([CH3:19])[NH:20][c:31]3[c:32]4[n:33][cH:34][nH:35][c:36]4[n:37][cH:38][n:39]3)[c:9](-[c:12]3[s:13][c:14]([CH3:17])[n:15][n:16]3)[n:10][c:11]12

Participants

5

Reactant 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 53592776-ChloropurineHCID 178433986HCID 178433986, compound

Product 1

HCID 178433985HCID 178433985, compound

Sources & evidence

ORD record
ord-8e7f0fd10be84121a4dd0d2f51e8194b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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