Ethyl [(4-aminophenyl)(methyl)oxido-sulfanylidene]carbamate → (RS)-N-(ethoxycarbonyl)-S-[4-({4-[(2-hydroxyethyl)amino]-5-(2-thienyl)-pyrimidine-2-yl}amino)phenyl]-S-methylsulfoximide

HRID 172973Notes

Reaction equation

HRID 172973 reaction equation
[Cl:1][c:2]1[n:3][cH:4][c:5](-[c:12]2[s:13][cH:14][cH:15][cH:16]2)[c:6]([NH:8][CH2:9][CH2:10][OH:11])[n:7]1.[NH2:17][c:18]1[cH:19][cH:20][c:21]([S:24](=[O:25])(=[N:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH3:32])[cH:22][cH:23]1>>[c:2]1([NH:17][c:18]2[cH:19][cH:20][c:21]([S:24](=[O:25])(=[N:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH3:32])[cH:22][cH:23]2)[n:3][cH:4][c:5](-[c:12]2[s:13][cH:14][cH:15][cH:16]2)[c:6]([NH:8][CH2:9][CH2:10][OH:11])[n:7]1

Participants

3

Reactant 2

HCID 44122615Ethyl [(4-aminophenyl)(methyl)oxido-sulfanylidene]carbamateHCID 589857042-(2-Chloro-5-(2-thienyl)pyrimidine-4-ylamino)ethanol

Product 1

HCID 58985671(RS)-N-(ethoxycarbonyl)-S-[4-({4-[(2-hydroxyethyl)amino]-5-(2-thienyl)-pyrimidine-2-yl}amino)phenyl]-S-methylsulfoximide

Sources & evidence

ORD record
ord-23ea5970e6aa4e7bada9c4e02aeff255
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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