1-Butanol → HCID 178482243, compound

HRID 1145111Notes

Reaction equation

HRID 1145111 reaction equation
[CH2:41]([OH:42])[CH2:43][CH2:44][CH3:45].[CH:22]([N:23]([CH2:24][CH3:25])[CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[Cl:1][c:2]1[cH:3][c:4]([N:8]([CH:9]2[CH2:10][CH:11]([CH2:19][OH:20])[CH:12]3[CH:13]2[O:14][C:15]([CH3:17])([CH3:18])[O:16]3)[CH3:21])[n:5][cH:6][n:7]1.[NH2:31][CH:32]1[CH2:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]21>>[c:2]1([NH:31][CH:32]2[CH2:33][CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][c:40]32)[cH:3][c:4]([N:8]([CH:9]2[CH2:10][CH:11]([CH2:19][OH:20])[CH:12]3[CH:13]2[O:14][C:15]([CH3:17])([CH3:18])[O:16]3)[CH3:21])[n:5][cH:6][n:7]1

Participants

5

Reactant 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 123445(+-)-1-AminoindanHCID 178482186HCID 178482186, compound

Product 1

HCID 178482243HCID 178482243, compound

Sources & evidence

ORD record
ord-2f10f4d314904416b37fb077a79cfc47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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