2-(2,5-Dichloro-pyrimidin-4-ylamino)-N,N-dimethyl-benzenesulfonamide → 2-[5-Chloro-2-(1-ethyl-5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-ylamino)-pyrimidin-4-ylamino]-N,N-dimethyl-benzenesulfonamide

HRID 120346Notes

Reaction equation

HRID 120346 reaction equation
[Cl:18][c:19]1[n:20][cH:21][c:22]([Cl:38])[c:23]([NH:25][c:26]2[c:27]([S:32](=[O:33])(=[O:34])[N:35]([CH3:36])[CH3:37])[cH:28][cH:29][cH:30][cH:31]2)[n:24]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[N:7]([CH2:15][CH3:16])[C:8](=[O:14])[CH2:9][CH2:10][C:11]2([CH3:12])[CH3:13]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[N:7]([CH2:15][CH3:16])[C:8](=[O:14])[CH2:9][CH2:10][C:11]2([CH3:12])[CH3:13])[c:19]1[n:20][cH:21][c:22]([Cl:38])[c:23]([NH:25][c:26]2[c:27]([S:32](=[O:33])(=[O:34])[N:35]([CH3:36])[CH3:37])[cH:28][cH:29][cH:30][cH:31]2)[n:24]1

Participants

3

Reactant 2

HCID 467382872-(2,5-Dichloro-pyrimidin-4-ylamino)-N,N-dimethyl-benzenesulfonamideHCID 672640658-Amino-1-ethyl-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

Product 1

HCID 668303302-[5-Chloro-2-(1-ethyl-5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-ylamino)-pyrimidin-4-ylamino]-N,N-dimethyl-benzenesulfonamide

Sources & evidence

ORD record
ord-0e47f2244f7343df876bfa780b4ce854
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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