Ammonium → 2-Amino-4-(3-cyanoindol-1-yl)benzoic acid

HRID 206104Notes

Reaction equation

HRID 206104 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][n:5](-[c:12]2[cH:13][c:14]([N+:21]([O-:22])=[O:23])[c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[CH3:24][CH2:25][OH:26].[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[Cl-:28].[NH4+:29].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH2:27].[Zn:30]>>[C:1](#[N:2])[c:3]1[cH:4][n:5](-[c:12]2[cH:13][c:14]([NH2:21])[c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 23994ZincHCID 58437261HCID 58437261, compound

Product 1

HCID 584372312-Amino-4-(3-cyanoindol-1-yl)benzoic acid

Sources & evidence

ORD record
ord-72a1e07b94204f8886ed7dd32460d7a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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