Hexafluorophosphate → 2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl(1H-indol-3-yl)methanone

HRID 1120073Notes

Reaction equation

HRID 1120073 reaction equation
[CH2:13]1[CH2:14][CH2:15][NH:16][CH:17]2[CH2:18][CH2:19][c:20]3[c:21]([cH:23][cH:24][cH:25][cH:26]3)[CH:22]12.[OH:1][C:2](=[O:3])[c:4]1[cH:5][nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12.[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1.[nH:51]1[c:52]2[cH:53][cH:54][c:55]([C:56]([N:57]3[CH:58]4[CH:59]([c:60]5[cH:61][cH:62][cH:63][cH:64][c:65]5[CH2:66][CH2:67]4)[CH2:68][CH2:69][CH2:70]3)=[O:71])[cH:72][c:73]2[n:74][cH:75]1>>[C:2](=[O:3])([c:4]1[cH:5][nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12)[N:16]1[CH2:15][CH2:14][CH2:13][CH:22]2[CH:17]1[CH2:18][CH2:19][c:20]1[c:21]2[cH:23][cH:24][cH:25][cH:26]1

Participants

6

Reactant 5

HCID 9886HexafluorophosphateHCID 69867Indole-3-Carboxylic AcidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 123270201,2,3,4,4a,5,6,10b-Octahydrobenzo(f)quinolineHCID 1785193462,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl(3H-benzimidazol-5-yl)methanone

Product 1

HCID 672225742,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl(1H-indol-3-yl)methanone

Sources & evidence

ORD record
ord-bc77f0e61b6e44089523a9b0df1b6e55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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