Acetic Acid → 3-Pentylamino-phthalic acid dimethyl ester

HRID 160481

Reaction equation

HRID 160481 reaction equation
[C:26]([O:27][BH-:28]([O:29][C:30](=[O:31])[CH3:32])[O:33][C:34](=[O:35])[CH3:36])(=[O:37])[CH3:38].[CH2:40]([Cl:41])[Cl:42].[CH3:1][O:2][C:3]([c:4]1[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([NH2:14])[cH:11][cH:12][cH:13]1)=[O:15].[CH3:22][C:23](=[O:24])[OH:25].[CH:16]([CH2:17][CH2:18][CH2:19][CH3:20])=[O:21].[Na+:39]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([NH:14][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[cH:11][cH:12][cH:13]1)=[O:15]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 8063PentanalHCID 2724942TriacetoxyborohydrideHCID 13399384Dimethyl 3-aminobenzene-1,2-dicarboxylate

Product 1

HCID 210401313-Pentylamino-phthalic acid dimethyl ester

Sources & evidence

ORD record
ord-6a88f07161a84ede82075ac8f55b032c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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