Acetic Acid → 2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)aminocarbonyl-N'-methylbenzenesulfonimidamide

HRID 179123Notes

Reaction equation

HRID 179123 reaction equation
[Br:12][c:13]1[c:14]([S:19](=[O:20])([NH2:21])=[N:22][CH3:23])[cH:15][cH:16][cH:17][cH:18]1.[CH3:24][O:25][c:26]1[n:27][c:28]([NH:34][C:35]([O:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)=[O:43])[n:29][c:30]([O:32][CH3:33])[cH:31]1.[CH3:44][C:45](=[O:46])[OH:47].[CH3:48][C:49]#[N:50].[Cl:51][CH2:52][Cl:53].[N:1]12[CH2:2][CH2:3][CH2:4][N:5]=[C:6]1[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]2>>[Br:12][c:13]1[c:14]([S:19](=[O:20])([NH:21][C:35]([NH:34][c:28]2[n:27][c:26]([O:25][CH3:24])[cH:31][c:30]([O:32][CH3:33])[n:29]2)=[O:43])=[N:22][CH3:23])[cH:15][cH:16][cH:17][cH:18]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 10945667Carbamic acid, N-(4,6-dimethoxy-2-pyrimidinyl)-, phenyl esterHCID 139209002-bromo-N'-methylbenzenesulfonimidamide

Product 1

HCID 139209012-bromo-N-(4,6-dimethoxypyrimidin-2-yl)aminocarbonyl-N'-methylbenzenesulfonimidamide

Sources & evidence

ORD record
ord-4ffdb7a460894359a945d7e7e21eea6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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