Methanol → (RS)-S-[3-({[6-Methoxy-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-7-yl]oxy}-methyl)phenyl]-S-methylsulphoximide

HRID 294648

Reaction equation

HRID 294648 reaction equation
[CH2:1]([O:2][C:3](=[O:4])[N:6]=[S:7](=[O:8])([c:9]1[cH:10][c:11]([CH2:15][O:16][c:17]2[c:18]([O:33][CH3:34])[cH:19][c:20]3[c:21]([NH:27][c:28]4[s:29][cH:30][n:31][n:32]4)[n:22][cH:23][n:24][c:25]3[cH:26]2)[cH:12][cH:13][cH:14]1)[CH3:35])[CH3:5].[CH3:37][CH2:38][O-:39].[CH3:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[CH3:46][OH:47].[CH3:51][OH:52].[Cl:48][CH2:49][Cl:50].[Na+:36]>>[NH:6]=[S:7](=[O:8])([c:9]1[cH:10][c:11]([CH2:15][O:16][c:17]2[c:18]([O:33][CH3:34])[cH:19][c:20]3[c:21]([NH:27][c:28]4[s:29][cH:30][n:31][n:32]4)[n:22][cH:23][n:24][c:25]3[cH:26]2)[cH:12][cH:13][cH:14]1)[CH3:35]

Participants

7

Reactant 6

HCID 887Methanol2×HCID 923Sodium ionHCID 6344DichloromethaneHCID 8058HexaneHCID 1194401-Hydroxyethyl radicalHCID 57788000(RS)-N-(Ethoxycarbonyl)-S-methyl-S-[3-({[6-methoxy-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-7-yl]oxy}methyl)phenyl]sulphoximide

Product 1

HCID 57788009(RS)-S-[3-({[6-Methoxy-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-7-yl]oxy}-methyl)phenyl]-S-methylsulphoximide

Sources & evidence

ORD record
ord-dce402aeb5f342e3b2661ce2329bf0a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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