Dimethyl Sulfoxide → 2-(3-Sulfamoyl-phenylamino)-thieno[2,3-h]quinazoline-8-carboxylic acid (2-amino-ethyl)-amide

HRID 2347087Notes

Reaction equation

HRID 2347087 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][CH2:9][NH:10][C:11](=[O:12])[c:13]1[cH:14][c:15]2[c:16]([cH:17][cH:18][c:19]3[cH:20][n:21][c:22]([NH:25][c:26]4[cH:27][c:28]([S:32]([NH2:33])(=[O:34])=[O:35])[cH:29][cH:30][cH:31]4)[n:23][c:24]23)[s:36]1)([CH3:5])([CH3:6])[CH3:37].[CH3:56][S:57]([CH3:58])=[O:59].[Cl:45][CH2:46][Cl:47].[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44].[F:49][C:50]([F:51])([F:52])[C:53]([OH:54])=[O:55].[OH2:48]>>[NH2:7][CH2:8][CH2:9][NH:10][C:11](=[O:12])[c:13]1[cH:14][c:15]2[c:16]([cH:17][cH:18][c:19]3[cH:20][n:21][c:22]([NH:25][c:26]4[cH:27][c:28]([S:32]([NH2:33])(=[O:34])=[O:35])[cH:29][cH:30][cH:31]4)[n:23][c:24]23)[s:36]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acid2×HCID 59262928(2-{[2-(3-Sulfamoyl-phenylamino)-thieno[2,3-h]quinazoline-8-carbonyl]amino}-ethyl)-carbamic acid tert-butyl ester

Product 1

HCID 592629422-(3-Sulfamoyl-phenylamino)-thieno[2,3-h]quinazoline-8-carboxylic acid (2-amino-ethyl)-amide

Sources & evidence

ORD record
ord-121709721d8548c884690299bee23d65
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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