1-Butanol → HCID 178428249, compound

HRID 1220633Notes

Reaction equation

HRID 1220633 reaction equation
[CH2:48]([OH:49])[CH2:50][CH2:51][CH3:52].[CH3:1][c:2]1[n:3][nH:4][c:5]([NH:7][c:8]2[n:9][c:10]([S:15][c:16]3[cH:17][cH:18][c:19]([NH:22][C:23](=[O:24])[CH:25]4[CH2:26][CH2:27][CH2:28][CH2:29]4)[cH:20][cH:21]3)[n:11][c:12]([Cl:14])[cH:13]2)[cH:6]1.[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[CH:31]1([C:34]2([OH:38])[CH2:35][NH:36][CH2:37]2)[CH2:32][CH2:33]1.[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[ClH:30]>>[CH3:1][c:2]1[n:3][nH:4][c:5]([NH:7][c:8]2[n:9][c:10]([S:15][c:16]3[cH:17][cH:18][c:19]([NH:22][C:23](=[O:24])[CH:25]4[CH2:26][CH2:27][CH2:28][CH2:29]4)[cH:20][cH:21]3)[n:11][c:12]([N:36]3[CH2:35][C:34]([CH:31]4[CH2:32][CH2:33]4)([OH:38])[CH2:37]3)[cH:13]2)[cH:6]1

Participants

7

Reactant 6

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 467351513-Cyclopropylazetidin-3-olHCID 178428224HCID 178428224, compound

Product 1

HCID 178428249HCID 178428249, compound

Sources & evidence

ORD record
ord-8870ee8bfbe24d729597f135a04732bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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