Bicarbonate Ion → (1-Benzyl-1H-indazol-5-yl)-[5-(2-methoxy-ethoxymethyl)-pyrrolo[2,1-f][1,2,4]triazin-4-yl]-amine

HRID 1127477Notes

Reaction equation

HRID 1127477 reaction equation
[Br:1][CH2:2][c:3]1[cH:4][cH:5][n:6]2[c:7]1[c:8]([Cl:9])[n:10][cH:11][n:12]2.[CH2:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[n:41]1[n:42][cH:43][c:44]2[cH:45][c:46]([NH2:50])[cH:47][cH:48][c:49]12.[CH3:77][O:78][CH2:79][CH2:80][OH:81].[CH3:85][C:86]#[N:87].[Cl:18][c:19]1[n:20][cH:21][n:22][n:23]2[c:24]1[c:25]([CH2:28][O:29][CH2:30][CH2:31][O:32][CH3:33])[cH:26][cH:27]2.[Cl:69][CH2:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[Cl:82][CH2:83][Cl:84].[F:51][c:52]1[cH:53][c:54]([CH2:58][n:59]2[c:60]3[c:61]([cH:62][c:63]([NH2:64])[cH:65][cH:66]3)[cH:67][n:68]2)[cH:55][cH:56][cH:57]1.[Na+:17].[O-:13][C:14]([OH:15])=[O:16]>>[c:19]1([NH:50][c:46]2[cH:45][c:44]3[cH:43][n:42][n:41]([CH2:34][c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[c:49]3[cH:48][cH:47]2)[n:20][cH:21][n:22][n:23]2[c:24]1[c:25]([CH2:28][O:29][CH2:30][CH2:31][O:32][CH3:33])[cH:26][cH:27]2

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 7503Benzyl ChlorideHCID 80192-MethoxyethanolHCID 2120691-(Phenylmethyl)-1H-indazol-5-amineHCID 71470731-(3-Fluorobenzyl)-1H-indazol-5-amineHCID 218743865-(Bromomethyl)-4-chloropyrrolo[2,1-f][1,2,4]triazineHCID 223905494-Chloro-5-(2-methoxy-ethoxymethyl)-pyrrolo[2,1-f][1,2,4]triazine

Product 1

HCID 22390526(1-Benzyl-1H-indazol-5-yl)-[5-(2-methoxy-ethoxymethyl)-pyrrolo[2,1-f][1,2,4]triazin-4-yl]-amine

Sources & evidence

ORD record
ord-4c7f2834b3bd4b1bae5a141c3199eb0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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