Hydrochloric Acid → isonicotinic acid 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-pyrrol-1-ylmethyl ester

HRID 88471

Reaction equation

HRID 88471 reaction equation
[CH2:11]([N:12]=[C:13]=[N:14][CH2:15][CH2:16][CH2:17][N:18]([CH3:19])[CH3:20])[CH3:21].[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][n:8]1)[CH3:9].[Cl:63][CH2:64][Cl:65].[ClH:10].[OH:31][CH2:32][N:33]1[C:34](=[O:62])[C:35]([c:52]2[cH:53][n:54]([CH3:61])[c:55]3[cH:56][cH:57][cH:58][cH:59][c:60]23)=[C:36]([c:39]2[cH:40][n:41]([CH3:51])[c:42]3[cH:43][c:44]([N+:48](=[O:49])[O-:50])[cH:45][cH:46][c:47]23)[C:37]1=[O:38].[cH:22]1[cH:23][c:24]([C:28](=[O:29])[OH:30])[cH:25][cH:26][n:27]1>>[cH:22]1[cH:23][c:24]([C:28]([O:29][CH2:32][N:33]2[C:34](=[O:62])[C:35]([c:52]3[cH:53][n:54]([CH3:61])[c:55]4[cH:56][cH:57][cH:58][cH:59][c:60]34)=[C:36]([c:39]3[cH:40][n:41]([CH3:51])[c:42]4[cH:43][c:44]([N+:48](=[O:49])[O-:50])[cH:45][cH:46][c:47]34)[C:37]2=[O:38])=[O:30])[cH:25][cH:26][n:27]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 5922Isonicotinic AcidHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 218852-DimethylaminopyridineHCID 98673381-hydroxymethyl-3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-pyrrole-2,5-dione

Product 1

HCID 9871825isonicotinic acid 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-pyrrol-1-ylmethyl ester

Sources & evidence

ORD record
ord-0be1e5e5771f459ab4df428cb115b2f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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