Acetic Acid → HCID 18965147, compound

HRID 681545Notes

Reaction equation

HRID 681545 reaction equation
[C:1]([OH:2])(=[O:3])[CH3:4].[CH2:31]([CH2:32][CH2:33][CH2:34][CH3:35])[N:36]([C:37](=[O:38])[Cl:39])[CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:5][c:6]1[cH:7][c:8]([N:13]([C:14](=[O:15])[N:16]2[CH:17]([C:22](=[O:23])[OH:24])[CH2:18][NH:19][CH2:20][CH2:21]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:9][c:10]([CH3:12])[cH:11]1.[OH2:57]>>[CH3:5][c:6]1[cH:7][c:8]([N:13]([C:14](=[O:15])[N:16]2[CH:17]([C:22](=[O:23])[OH:24])[CH2:18][N:19]([C:37]([N:36]([CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[CH2:40][CH2:41][CH2:42][CH2:43][CH3:44])=[O:38])[CH2:20][CH2:21]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:9][c:10]([CH3:12])[cH:11]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 18965169HCID 18965169, compoundHCID 22106956Dipentylcarbamyl chloride

Product 1

HCID 18965147HCID 18965147, compound

Sources & evidence

ORD record
ord-4e7d3aac0dfb481aa7fd7de01ca43914
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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