1-Butanol → HCID 178431257, compound

HRID 117107Notes

Reaction equation

HRID 117107 reaction equation
[CH2:42]([OH:43])[CH2:44][CH2:45][CH3:46].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[c:3]2[c:4]([cH:5][n:6][n:7]1)[n:8]([CH:11]1[O:12][CH:13]([CH2:21][OH:22])[CH:14]3[CH:15]1[O:16][C:17]([CH3:19])([CH3:20])[O:18]3)[cH:9][n:10]2.[NH2:23][CH:24]1[CH2:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]21>>[c:2]1([NH:23][CH:24]2[CH2:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]32)[c:3]2[c:4]([cH:5][n:6][n:7]1)[n:8]([CH:11]1[O:12][CH:13]([CH2:21][OH:22])[CH:14]3[CH:15]1[O:16][C:17]([CH3:19])([CH3:20])[O:18]3)[cH:9][n:10]2

Participants

5

Reactant 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 123445(+-)-1-AminoindanHCID 178431255HCID 178431255, compound

Product 1

HCID 178431257HCID 178431257, compound

Sources & evidence

ORD record
ord-2ee276baff3c4a07bbe14d3f04a2f5ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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