Dimethyl Sulfoxide → N-(4-phenoxy-phenyl)-3-{3-[4-(3,4,5-trimethoxy-phenylamino)-[1,3,5]triazin-2-yl]-pyridin-2-ylamino}benzamide

HRID 2156993Notes

Reaction equation

HRID 2156993 reaction equation
[CH3:50][S:51]([CH3:52])=[O:53].[CH3:54][OH:55].[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1-[c:8]1[n:9][c:10]([NH:14][c:15]2[cH:16][c:17]([O:25][CH3:26])[c:18]([O:23][CH3:24])[c:19]([O:21][CH3:22])[cH:20]2)[n:11][cH:12][n:13]1.[NH2:27][c:28]1[cH:29][c:30]([C:31](=[O:32])[NH:33][c:34]2[cH:35][cH:36][c:37]([O:40][c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[cH:38][cH:39]2)[cH:47][cH:48][cH:49]1>>[c:2]1([NH:27][c:28]2[cH:29][c:30]([C:31](=[O:32])[NH:33][c:34]3[cH:35][cH:36][c:37]([O:40][c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[cH:38][cH:39]3)[cH:47][cH:48][cH:49]2)[n:3][cH:4][cH:5][cH:6][c:7]1-[c:8]1[n:9][c:10]([NH:14][c:15]2[cH:16][c:17]([O:25][CH3:26])[c:18]([O:23][CH3:24])[c:19]([O:21][CH3:22])[cH:20]2)[n:11][cH:12][n:13]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 887MethanolHCID 161090054-(2-chloropyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amineHCID 225600953-Amino-N-(4-phenoxyphenyl)benzamide

Product 1

HCID 10233129N-(4-phenoxy-phenyl)-3-{3-[4-(3,4,5-trimethoxy-phenylamino)-[1,3,5]triazin-2-yl]-pyridin-2-ylamino}benzamide

Sources & evidence

ORD record
ord-a1070500d32544c59c7e5d19ecc24975
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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