Ethanol → HCID 178431219, compound

HRID 2329692Notes

Reaction equation

HRID 2329692 reaction equation
[CH3:46][CH2:47][OH:48].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH:11]3[O:12][CH:13]([CH2:21][CH2:22][S:23](=[O:24])(=[O:25])[NH2:26])[CH:14]4[CH:15]3[O:16][C:17]([CH3:19])([CH3:20])[O:18]4)[c:7]2[n:8][cH:9][n:10]1.[NH2:27][CH:28]1[CH2:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]21>>[c:2]1([NH:27][CH:28]2[CH2:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][c:36]32)[c:3]2[n:4][cH:5][n:6]([CH:11]3[O:12][CH:13]([CH2:21][CH2:22][S:23](=[O:24])(=[O:25])[NH2:26])[CH:14]4[CH:15]3[O:16][C:17]([CH3:19])([CH3:20])[O:18]4)[c:7]2[n:8][cH:9][n:10]1

Participants

5

Reactant 4

HCID 702EthanolHCID 81531DiisopropylethylamineHCID 123445(+-)-1-AminoindanHCID 87814317HCID 87814317, compound

Product 1

HCID 178431219HCID 178431219, compound

Sources & evidence

ORD record
ord-a8e2dba024884a34bf900669496ae712
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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