Carbonate Ion → N(2)-[4-(4-Methyl-piperazin-1-yl)-phenyl]-N(7)-pyridin-3-ylmethyl-pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine

HRID 165579Notes

Reaction equation

HRID 165579 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][n:7][c:8]([NH:11][c:12]3[cH:13][cH:14][c:15]([N:18]4[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]4)[cH:16][cH:17]3)[n:9][n:10]12.[C:75](=[O:76])([O-:77])[O-:78].[CH3:33][C:34]1([CH3:35])[c:36]2[cH:37][cH:38][cH:39][c:40]([P:41]([c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[c:54]2[O:55][c:56]2[c:57]1[cH:58][cH:59][cH:60][c:61]2[P:62]([c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[Cs+:79].[Cs+:80].[NH2:25][CH2:26][c:27]1[cH:28][n:29][cH:30][cH:31][cH:32]1>>[c:2]1([NH:25][CH2:26][c:27]2[cH:28][n:29][cH:30][cH:31][cH:32]2)[cH:3][cH:4][c:5]2[cH:6][n:7][c:8]([NH:11][c:12]3[cH:13][cH:14][c:15]([N:18]4[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]4)[cH:16][cH:17]3)[n:9][n:10]12

Participants

6

Reactant 5

HCID 19660Carbonate IonHCID 310183-PyridinemethanamineHCID 104967Cesium cation2×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 66711200(7-Bromo-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine

Product 1

HCID 66712552N(2)-[4-(4-Methyl-piperazin-1-yl)-phenyl]-N(7)-pyridin-3-ylmethyl-pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine

Sources & evidence

ORD record
ord-40674ca135d54d3487179e1f0577488a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…