Toluene → HCID 69206585, compound

HRID 157966Notes

Reaction equation

HRID 157966 reaction equation
[Br:22][c:23]1[c:24]([CH3:42])[c:25]2[c:26]([n:27][c:28]([S:31]([CH3:32])=[O:33])[n:29][cH:30]2)[n:34]([CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41]2)[c:35]1=[O:36].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:15]2[cH:16][n:17][c:18]([NH2:21])[cH:19][cH:20]2)[CH2:12][CH2:13][CH2:14]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[O:43]=[C:44]1[O:45][C:46](=[O:47])[CH2:48][CH2:49]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:15]2[cH:16][n:17][c:18]([NH:21][c:28]3[n:27][c:26]4[c:25]([c:24]([CH3:42])[c:23]([Br:22])[c:35](=[O:36])[n:34]4[CH:37]4[CH2:38][CH2:39][CH2:40][CH2:41]4)[cH:30][n:29]3)[cH:19][cH:20]2)[CH2:12][CH2:13][CH2:14]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 7922Succinic anhydrideHCID 8857Ethyl AcetateHCID 113721276-bromo-8-cyclopentyl-5-methyl-2-(methylsulfinyl)pyrido[2,3-d]pyrimidin-7(8H)-oneHCID 57440643HCID 57440643, compound

Product 1

HCID 69206585HCID 69206585, compound

Sources & evidence

ORD record
ord-c2a91697039a4a8eb07ede0154dd7180
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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