Dichloromethane → [1-[[4-[6-(4-Chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

HRID 1549861Notes

Reaction equation

HRID 1549861 reaction equation
[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH3:10])[C:11](=[O:12])[OH:13].[CH:48]([N:49]=[C:50]=[N:51][CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[Cl:14][c:15]1[cH:16][cH:17][c:18](-[c:21]2[cH:22][c:23]3[n:24][cH:25][n:26](-[c:31]4[cH:32][c:33]([O:46][CH3:47])[c:34]([O:37][CH2:38][C:39]5([OH:45])[CH2:40][C:41]([F:43])([F:44])[CH2:42]5)[cH:35][cH:36]4)[c:27](=[O:30])[c:28]3[s:29]2)[cH:19][cH:20]1.[Cl:57][CH2:58][Cl:59]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH3:10])[C:11](=[O:12])[O:13][C:39]1([CH2:38][O:37][c:34]2[c:33]([O:46][CH3:47])[cH:32][c:31](-[n:26]3[cH:25][n:24][c:23]4[cH:22][c:21](-[c:18]5[cH:17][cH:16][c:15]([Cl:14])[cH:20][cH:19]5)[s:29][c:28]4[c:27]3=[O:30])[cH:36][cH:35]2)[CH2:40][C:41]([F:43])([F:44])[CH2:42]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 12734DiisopropylcarbodiimideHCID 2684712-N-Boc-aminopropionic acidHCID 57988809HCID 57988809, compound

Product 1

HCID 67345015[1-[[4-[6-(4-Chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Sources & evidence

ORD record
ord-d77723f2498f4d9ea054c6dc54cad629
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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