1-Butanol → 4-[4-(1H-Indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

HRID 1223771Notes

Reaction equation

HRID 1223771 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][c:16]3[c:17]([n:18][cH:19][n:20][c:21]3[Cl:22])[nH:23]2)=[CH:12][CH2:13]1.[CH2:44]([OH:45])[CH2:46][CH2:47][CH3:48].[CH3:52][OH:53].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:49][CH2:50][Cl:51].[ClH:43].[NH2:24][c:25]1[cH:26][c:27]2[cH:28][cH:29][nH:30][c:31]2[cH:32][cH:33]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][c:16]3[c:17]([n:18][cH:19][n:20][c:21]3[NH:24][c:25]3[cH:26][c:27]4[cH:28][cH:29][nH:30][c:31]4[cH:32][cH:33]3)[nH:23]2)=[CH:12][CH2:13]1

Participants

8

Reactant 7

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 887MethanolHCID 6344DichloromethaneHCID 788675-AminoindoleHCID 81531DiisopropylethylamineHCID 58709797tert-butyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydropyridine-1(2H)-carboxylate

Product 1

HCID 116333694-[4-(1H-Indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-74e4f1999f3942a28b7816bb3646207f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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