Sodium ion → [3-(4-Amino-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-benzyl]-carbamic acid tert-butyl ester

HRID 1123750Notes

Reaction equation

HRID 1123750 reaction equation
[Br:25][c:26]1[cH:27][cH:28][c:29]2[c:30]([NH2:35])[n:31][cH:32][n:33][n:34]12.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][c:9]1[cH:10][c:11]([B:15]2[O:16][C:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[O:23]2)[cH:12][cH:13][cH:14]1)=[O:24].[C:39](=[O:40])([O-:41])[O-:42].[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[Cl:36][CH2:37][Cl:38].[Na+:43].[Na+:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][c:9]1[cH:10][c:11](-[c:26]2[cH:27][cH:28][c:29]3[c:30]([NH2:35])[n:31][cH:32][n:33][n:34]23)[cH:12][cH:13][cH:14]1)=[O:24]

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 6344DichloromethaneHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 2760591tert-Butyl {[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}carbamateHCID 422813837-Bromopyrrolo[2,1-f][1,2,4]triazin-4-amine

Product 1

HCID 71134144[3-(4-Amino-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-benzyl]-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-f0d3b5286bb04b65b070a2f1744c0342
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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