Toluene → 6-Amino-4-(3-bromo-phenylamino)-[1,7]naphthyridine-3-carbonitrile

HRID 1562945Notes

Reaction equation

HRID 1562945 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[c:10]([C:29]#[N:30])[cH:11][n:12][c:13]3[cH:14][n:15][c:16]([NH:19][CH2:20][c:21]4[cH:22][cH:23][c:24]([O:25][CH3:26])[cH:27][cH:28]4)[cH:17][c:18]23)[cH:5][cH:6][cH:7]1.[CH2:45]([Cl:46])[Cl:47].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[OH:31][C:32]([C:33]([F:34])([F:35])[F:36])=[O:37]>>[Br:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[c:10]([C:29]#[N:30])[cH:11][n:12][c:13]3[cH:14][n:15][c:16]([NH2:19])[cH:17][c:18]23)[cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 129691054-(3-Bromo-phenylamino)-6-(4-methoxy-benzylamino)-[1,7]naphthyridine-3-carbonitrile

Product 1

HCID 97980066-Amino-4-(3-bromo-phenylamino)-[1,7]naphthyridine-3-carbonitrile

Sources & evidence

ORD record
ord-989224b0cd134263a34e764e87afeb63
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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