1-Butanol → 1-(4-(4-(4-(1H-indazol-6-ylamino)-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone

HRID 1224009Notes

Reaction equation

HRID 1224009 reaction equation
[CH2:52]([OH:53])[CH2:54][CH2:55][CH3:56].[CH3:47][Si:48]([Cl:49])([CH3:50])[CH3:51].[Cl:1][c:2]1[n:3][c:4]([NH:21][c:22]2[cH:23][cH:24][c:25]3[cH:26][n:27][nH:28][c:29]3[cH:30]2)[c:5]2[c:6]([n:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:18])[cH:19][cH:20]1)[cH:9][cH:10]2.[NH2:31][c:32]1[cH:33][cH:34][c:35]([N:38]2[CH2:39][CH2:40][N:41]([C:44]([CH3:45])=[O:46])[CH2:42][CH2:43]2)[cH:36][cH:37]1>>[c:2]1([NH:31][c:32]2[cH:33][cH:34][c:35]([N:38]3[CH2:39][CH2:40][N:41]([C:44]([CH3:45])=[O:46])[CH2:42][CH2:43]3)[cH:36][cH:37]2)[n:3][c:4]([NH:21][c:22]2[cH:23][cH:24][c:25]3[cH:26][n:27][nH:28][c:29]3[cH:30]2)[c:5]2[c:6]([n:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:18])[cH:19][cH:20]1)[cH:9][cH:10]2

Participants

5

Reactant 4

HCID 2631-ButanolHCID 6397ChlorotrimethylsilaneHCID 7362691-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-oneHCID 866280352-chloro-N-(1H-indazol-6-yl)-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Product 1

HCID 685794941-(4-(4-(4-(1H-indazol-6-ylamino)-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone

Sources & evidence

ORD record
ord-f76e418a97e243e984ed94cb1f3d8865
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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