1-Butanol → HCID 24936315, compound

HRID 1234329Notes

Reaction equation

HRID 1234329 reaction equation
[CH2:45]([OH:46])[CH2:47][CH2:48][CH3:49].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Cl:1][c:2]1[n:3][cH:4][c:5]([F:28])[c:6](-[c:8]2[cH:9][c:10]3[c:11]([s:12]2)[c:13](-[c:17]2[c:18]([CH2:24][N:25]([CH3:26])[CH3:27])[cH:19][n:20][c:21]([F:23])[cH:22]2)[cH:14][cH:15][cH:16]3)[n:7]1.[NH2:36][CH2:37][CH2:38][N:39]1[C:40](=[O:44])[NH:41][CH2:42][CH2:43]1>>[c:2]1([NH:36][CH2:37][CH2:38][N:39]2[C:40](=[O:44])[NH:41][CH2:42][CH2:43]2)[n:3][cH:4][c:5]([F:28])[c:6](-[c:8]2[cH:9][c:10]3[c:11]([s:12]2)[c:13](-[c:17]2[c:18]([CH2:24][N:25]([CH3:26])[CH3:27])[cH:19][n:20][c:21]([F:23])[cH:22]2)[cH:14][cH:15][cH:16]3)[n:7]1

Participants

6

Reactant 5

HCID 2631-ButanolHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 80480N-(2-Aminoethyl)ethyleneureaHCID 86640500HCID 86640500, compound

Product 1

HCID 24936315HCID 24936315, compound

Sources & evidence

ORD record
ord-9185bddd35f846989984f8529ab67696
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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