HCID 58748359, compound → 2-[[2-(1,2,3,3a,4,6-hexahydropyrrolo[1,2-a][4,1]benzoxazepin-8-ylamino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide

HRID 684375Notes

Reaction equation

HRID 684375 reaction equation
[CH2:21]1[CH2:22][CH2:23][CH:24]2[CH2:25][O:26][CH2:27][c:28]3[c:29]([cH:31][cH:32][c:33]([NH2:35])[cH:34]3)[N:30]12.[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:20])[c:6]([NH:8][c:9]2[c:10]([S:15](=[O:16])(=[O:17])[NH:18][CH3:19])[cH:11][cH:12][cH:13][cH:14]2)[n:7]1>>[c:2]1([NH:35][c:33]2[cH:32][cH:31][c:29]3[c:28]([cH:34]2)[CH2:27][O:26][CH2:25][CH:24]2[CH2:23][CH2:22][CH2:21][N:30]23)[n:3][cH:4][c:5]([Cl:20])[c:6]([NH:8][c:9]2[c:10]([S:15](=[O:16])(=[O:17])[NH:18][CH3:19])[cH:11][cH:12][cH:13][cH:14]2)[n:7]1

Participants

3

Reactant 2

HCID 58748359HCID 58748359, compoundHCID 672636131,2,3,3a,4,6-Hexahydropyrrolo[1,2-a][4,1]benzoxazepin-8-amine

Product 1

HCID 1784862692-[[2-(1,2,3,3a,4,6-hexahydropyrrolo[1,2-a][4,1]benzoxazepin-8-ylamino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide

Sources & evidence

ORD record
ord-bc2d4f590fb5475dba9503f7cf9c8b9e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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