N-methyl-2-pyrrolidone → (7-Bromo-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-[3-(2-methoxy-ethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl]-amine

HRID 1545493Notes

Reaction equation

HRID 1545493 reaction equation
[Br:17][c:18]1[cH:19][cH:20][c:21]2[cH:22][n:23][c:24]([S:27]([CH3:28])=[O:29])[n:25][n:26]12.[CH3:1][O:2][CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][c:8]2[c:9]([cH:12][c:13]([NH2:16])[cH:14][cH:15]2)[CH2:10][CH2:11]1.[CH3:30][N:31]1[CH2:32][CH2:33][CH2:34][C:35]1=[O:36]>>[CH3:1][O:2][CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][c:8]2[c:9]([cH:12][c:13]([NH:16][c:24]3[n:23][cH:22][c:21]4[cH:20][cH:19][c:18]([Br:17])[n:26]4[n:25]3)[cH:14][cH:15]2)[CH2:10][CH2:11]1

Participants

4

Reactant 3

HCID 13387N-methyl-2-pyrrolidoneHCID 574160893-(2-Methoxyethyl)-2,3,4,5-tetrahydro-1h-3-benzazepin-7-amineHCID 580713077-Bromo-2-(methylsulfinyl)pyrrolo[2,1-f][1,2,4]triazine

Product 1

HCID 66712060(7-Bromo-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-[3-(2-methoxy-ethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl]-amine

Sources & evidence

ORD record
ord-2bc883c5cc9941289f8c1ce2ad942579
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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