1-Butanol → HCID 178425901, compound

HRID 282831Notes

Reaction equation

HRID 282831 reaction equation
[CH2:56]([OH:57])[CH2:58][CH2:59][CH3:60].[CH3:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH:9]2[CH:10]([CH2:24][O:25][C:26]([c:27]3[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]3)=[O:34])[O:11][CH:12]([n:14]3[cH:15][cH:16][c:17]4[c:18]3[n:19][cH:20][n:21][c:22]4[Cl:23])[CH2:13]2)[cH:35][cH:36]1.[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[NH2:37][CH:38]1[CH2:39][CH2:40][c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]21>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH:9]2[CH:10]([CH2:24][O:25][C:26]([c:27]3[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]3)=[O:34])[O:11][CH:12]([n:14]3[cH:15][cH:16][c:17]4[c:18]3[n:19][cH:20][n:21][c:22]4[NH:37][CH:38]3[CH2:39][CH2:40][c:41]4[cH:42][cH:43][cH:44][cH:45][c:46]43)[CH2:13]2)[cH:35][cH:36]1

Participants

5

Reactant 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 123445(+-)-1-AminoindanHCID 15612837HCID 15612837, compound

Product 1

HCID 178425901HCID 178425901, compound

Sources & evidence

ORD record
ord-003b54e153284760acc8f34687f11749
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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