Isobutyl chloroformate → N-(1-ethyl-2-pyrrolidylmethyl)-8-acetamino-1,4-benzodioxane-5-carboxamide

HRID 141998Notes

Reaction equation

HRID 141998 reaction equation
[CH2:26]([CH3:27])[N:28]1[CH:29]([CH2:33][NH2:34])[CH2:30][CH2:31][CH2:32]1.[Cl:18][C:19]([O:20][CH2:21][CH:22]([CH3:23])[CH3:24])=[O:25].[NH:1]([C:2](=[O:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:15](=[O:16])[OH:17])[c:9]2[c:10]1[O:11][CH2:12][CH2:13][O:14]2>>[NH:1]([C:2](=[O:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:15](=[O:17])[NH:34][CH2:33][CH:29]2[N:28]([CH2:26][CH3:27])[CH2:32][CH2:31][CH2:30]2)[c:9]2[c:10]1[O:11][CH2:12][CH2:13][O:14]2

Participants

4

Reactant 3

HCID 62365Isobutyl chloroformateHCID 1172952-Aminomethyl-1-ethylpyrrolidineHCID 149562078-Acetamido-1,4-benzodioxan-5-carboxylic acid

Product 1

HCID 20544727N-(1-ethyl-2-pyrrolidylmethyl)-8-acetamino-1,4-benzodioxane-5-carboxamide

Sources & evidence

ORD record
ord-3d7b993d7afe4c2db5c71c38cd608e6e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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