Benzoic Acid → HCID 53988865, compound

HRID 1209688Notes

Reaction equation

HRID 1209688 reaction equation
[C:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)(=[O:27])[Cl:28].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][NH:8][CH2:9][CH:10]1[c:11]1[cH:12][cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1.[CH2:44]([Cl:45])[Cl:46].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[Cl:38][C:39]([C:40]([Cl:41])=[O:42])=[O:43].[OH:29][C:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)=[O:37]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][N:8]([C:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)=[O:27])[CH2:9][CH:10]1[c:11]1[cH:12][cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1

Participants

7

Reactant 6

HCID 243Benzoic AcidHCID 6344DichloromethaneHCID 7412Benzoyl chlorideHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 539414194-(4-Nitro-phenyl)-pyrrolidine-3-carboxylic acid ethyl ester

Product 1

HCID 53988865HCID 53988865, compound

Sources & evidence

ORD record
ord-c5a78debbaa74d308cb4c3be3fd36622
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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