Dimethyl Sulfoxide → 1-[3-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethoxy)-5-fluoro-phenyl]-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)-ethyl]-thiazol-2-yl}-urea

HRID 149619Notes

Reaction equation

HRID 149619 reaction equation
[CH3:1][C:2]1([CH3:17])[O:3][CH2:4][CH:5]([CH2:7][O:8][c:9]2[cH:10][c:11]([NH2:16])[cH:12][c:13]([F:15])[cH:14]2)[O:6]1.[CH3:45][N:46]([c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1)[CH3:53].[CH3:54][S:55]([CH3:56])=[O:57].[c:18]1([O:24][C:25](=[O:19])[NH:26][c:27]2[s:28][c:29]([CH2:32][CH2:33][NH:34][c:35]3[c:36]4[c:37]([n:38][cH:39][n:40]3)[cH:41][cH:42][s:43]4)[cH:30][n:31]2)[cH:20][cH:21][cH:22][cH:23][cH:44]1>>[CH3:1][C:2]1([CH3:17])[O:3][CH2:4][CH:5]([CH2:7][O:8][c:9]2[cH:10][c:11]([NH:16][C:25](=[O:24])[NH:26][c:27]3[s:28][c:29]([CH2:32][CH2:33][NH:34][c:35]4[c:36]5[c:37]([n:38][cH:39][n:40]4)[cH:41][cH:42][s:43]5)[cH:30][n:31]3)[cH:12][c:13]([F:15])[cH:14]2)[O:6]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 142844-(Dimethylamino)pyridineHCID 684255553-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethoxy)-5-fluoro-phenylamineHCID 86603169{5-[2-(Thieno[3,2-d]pyrimidin-4-ylamino)-ethyl]-thiazol-2-yl}-carbamic acid phenyl ester

Product 1

HCID 866031851-[3-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethoxy)-5-fluoro-phenyl]-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)-ethyl]-thiazol-2-yl}-urea

Sources & evidence

ORD record
ord-756fd4ab088f4b52a1d67dd124839107
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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