Water → 5-tert.Butylcarbamylphthalid

HRID 175607

Reaction equation

HRID 175607 reaction equation
[C:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6]2[c:11]([cH:12][cH:13]1)[C:9](=[O:10])[O:8][CH2:7]2.[C:26]([CH3:27])([CH3:28])([CH3:29])[NH2:30].[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH3:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[O:14]=[CH:15][N:16]([CH3:17])[CH3:18].[OH2:40].[S:31]([Cl:32])([Cl:33])=[O:34]>>[C:1](=[O:3])([c:4]1[cH:5][c:6]2[c:11]([cH:12][cH:13]1)[C:9](=[O:10])[O:8][CH2:7]2)[NH:30][C:26]([CH3:27])([CH3:28])[CH3:29]

Participants

8

Reactant 7

HCID 962WaterHCID 1140TolueneHCID 6228DimethylformamideHCID 6385Tert-ButylamineHCID 8028TetrahydrofuranHCID 24386Thionyl ChlorideHCID 785171,3-Dihydro-1-oxoisobenzofuran-5-carboxylic acid

Product 1

HCID 111489925-tert.Butylcarbamylphthalid

Sources & evidence

ORD record
ord-e7ddbede117b439a9516a41c86e8559f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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