Methanol → 2-[5-(4-tert-Butoxycarbonyl-piperazin-1-yl)-pyridin-2-ylamino]-7-cyclopentyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

HRID 1567496Notes

Reaction equation

HRID 1567496 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH3:39])[c:7]2[c:8]([n:9][c:10]([NH:13][c:14]3[n:15][cH:16][c:17]([N:20]4[CH2:21][CH2:22][N:23]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:24][CH2:25]4)[cH:18][cH:19]3)[n:11][cH:12]2)[n:33]1[CH:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[CH3:42][OH:43].[Cl:45][CH2:46][Cl:47].[Li+:40].[OH-:41].[OH2:44].[OH2:48]>>[O:2]=[C:3]([OH:4])[c:5]1[c:6]([CH3:39])[c:7]2[c:8]([n:9][c:10]([NH:13][c:14]3[n:15][cH:16][c:17]([N:20]4[CH2:21][CH2:22][N:23]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:24][CH2:25]4)[cH:18][cH:19]3)[n:11][cH:12]2)[n:33]1[CH:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1

Participants

7

Reactant 6

HCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 6344DichloromethaneHCID 28486Lithium ionHCID 69079901HCID 69079901, compound

Product 1

HCID 580160322-[5-(4-tert-Butoxycarbonyl-piperazin-1-yl)-pyridin-2-ylamino]-7-cyclopentyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

Sources & evidence

ORD record
ord-f6cc9d18bb484aaebf8789f75bd8c79d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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