Benzenemethanamine, 3,4-dichloro- → 5(3,4-Dichlorobenzylcarbamoyl)-pyridine-2-carboxylic acid methyl-ester

HRID 186587Notes

Reaction equation

HRID 186587 reaction equation
[CH2:58]([O:59][C:60]([c:61]1[s:62][c:63]([C:64](=[O:65])[NH:66][CH2:67][c:68]2[cH:69][cH:70][c:71]([Cl:72])[c:73]([Cl:74])[cH:75]2)[cH:76][cH:77]1)=[O:78])[CH3:79].[CH3:35][O:36][C:37]([c:38]1[cH:39][cH:40][c:41]([C:42]([Cl:43])=[O:44])[cH:45][n:46]1)=[O:47].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12]([C:15](=[O:16])[NH:17][CH2:18][CH:19]3[CH2:20][CH:21]([SH:22])[CH2:23][N:24]3[C:25]([O:26][CH2:27][CH:28]=[CH2:29])=[O:30])[n:13][cH:14]2)[cH:31][cH:32][c:33]1[Cl:34].[Cl:48][c:49]1[cH:50][c:51]([CH2:56][NH2:57])[cH:52][cH:53][c:54]1[Cl:55]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12]([C:15](=[O:16])[O:36][CH3:35])[n:13][cH:14]2)[cH:31][cH:32][c:33]1[Cl:34]

Participants

5

Reactant 4

HCID 1608Benzenemethanamine, 3,4-dichloro-HCID 151211775-Chlorocarbonyl-pyridine-2-carboxylic acid methyl esterHCID 22986137Prop-2-enyl 2-[[[5-[(3,4-dichlorophenyl)methylcarbamoyl]pyridine-2-carbonyl]amino]methyl]-4-sulfanylpyrrolidine-1-carboxylateHCID 229861535-(3,4-Dichlorobenzyl-carbamoyl)-thiophene-2-carboxylic acid ethyl ester

Product 1

HCID 229861925(3,4-Dichlorobenzylcarbamoyl)-pyridine-2-carboxylic acid methyl-ester

Sources & evidence

ORD record
ord-2f15e3aa32434af9931af28156082944
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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