Sodium ion → 4-{3-[4-Amino-5-(2-benzyl-2H-indazol-6-yl)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester

HRID 106069Notes

Reaction equation

HRID 106069 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][c:16](-[c:20]3[cH:21][c:22]([Br:30])[c:23]4[c:24]([NH2:29])[n:25][cH:26][n:27][n:28]34)[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1.[C:59](=[O:60])([O-:61])[O-:62].[CH2:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[n:38]1[n:39][c:40]2[cH:41][c:42]([B:47]3[O:48][C:49]([CH3:50])([CH3:51])[C:52]([CH3:53])([CH3:54])[O:55]3)[cH:43][cH:44][c:45]2[cH:46]1.[CH2:56]([Cl:57])[Cl:58].[Na+:63].[Na+:64]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][c:16](-[c:20]3[cH:21][c:22](-[c:42]4[cH:41][c:40]5[n:39][n:38]([CH2:31][c:32]6[cH:33][cH:34][cH:35][cH:36][cH:37]6)[cH:46][c:45]5[cH:44][cH:43]4)[c:23]4[c:24]([NH2:29])[n:25][cH:26][n:27][n:28]34)[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 585293132-benzyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-IndazoleHCID 585297564-[3-(4-Amino-5-bromo-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-Phenyl]-piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 585292904-{3-[4-Amino-5-(2-benzyl-2H-indazol-6-yl)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-6c135a8c20834a31904c6fe8de7b7612
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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