Sodium ion → tert-butyl N-[4-(4-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]carbamate

HRID 1222709Notes

Reaction equation

HRID 1222709 reaction equation
[CH3:2][O:3][c:4]1[c:5]([NH:19][C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[cH:6][cH:7][c:8]([B:10]2[O:11][C:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH3:17])[O:18]2)[cH:9]1.[CH3:49][O:50][CH2:51][CH2:52][O:53][CH3:54].[Cl:27][c:28]1[c:29]2[c:30]([n:31][cH:32][n:33]1)[n:34]([CH:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1)[cH:35][c:36]2[I:37].[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[OH2:1]>>[CH3:2][O:3][c:4]1[c:5]([NH:19][C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[cH:6][cH:7][c:8](-[c:36]2[c:29]3[c:28]([Cl:27])[n:33][cH:32][n:31][c:30]3[n:34]([CH:38]3[CH2:39][CH2:40][CH2:41][CH2:42]3)[cH:35]2)[cH:9]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 177502214-(tert-Butoxycarbonylamino)-3-methoxyphenylboronic acid, pinacol esterHCID 195974344-Chloro-7-cyclopentyl-5-iodo-7H-pyrrolo[2,3-d]pyrimidine

Product 1

HCID 53777291tert-butyl N-[4-(4-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]carbamate

Sources & evidence

ORD record
ord-b94e1ba5d7214be4a7a9584b06fbc0df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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