HCID 58236399, compound → N-{2-[5-Chloro-2-(3-prop-2-ynyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamino)-pyrimidin-4-ylamino]-phenyl}-methanesulfonamide

HRID 1138244Notes

Reaction equation

HRID 1138244 reaction equation
[CH2:1]([C:2]#[CH:3])[N:4]1[CH2:5][CH2:6][c:7]2[c:8]([cH:11][c:12]([NH2:15])[cH:13][cH:14]2)[CH2:9][CH2:10]1.[Cl:16][c:17]1[n:18][cH:19][c:20]([Cl:35])[c:21]([NH:23][c:24]2[c:25]([NH:30][S:31](=[O:32])(=[O:33])[CH3:34])[cH:26][cH:27][cH:28][cH:29]2)[n:22]1>>[CH2:1]([C:2]#[CH:3])[N:4]1[CH2:5][CH2:6][c:7]2[c:8]([cH:11][c:12]([NH:15][c:17]3[n:18][cH:19][c:20]([Cl:35])[c:21]([NH:23][c:24]4[c:25]([NH:30][S:31](=[O:32])(=[O:33])[CH3:34])[cH:26][cH:27][cH:28][cH:29]4)[n:22]3)[cH:13][cH:14]2)[CH2:9][CH2:10]1

Participants

3

Reactant 2

HCID 58236399HCID 58236399, compoundHCID 866338783-prop-2-ynyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamine

Product 1

HCID 86633882N-{2-[5-Chloro-2-(3-prop-2-ynyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamino)-pyrimidin-4-ylamino]-phenyl}-methanesulfonamide

Sources & evidence

ORD record
ord-f684ecf94e96473297705fad2035adbf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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