Sodium ion → (1H-benzo[d]imidazol-4-yl)(1-methyl-1H-spiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone

HRID 2330993Notes

Reaction equation

HRID 2330993 reaction equation
[CH3:1][n:2]1[n:3][cH:4][c:5]2[c:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][c:12]1[O:13][C:14]21[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[Cl:65][CH2:66][Cl:67].[Na+:64].[OH-:63].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1.[nH:20]1[cH:21][n:22][c:23]2[c:24]1[cH:25][cH:26][cH:27][c:28]2[C:29](=[O:30])[OH:31]>>[CH3:1][n:2]1[n:3][cH:4][c:5]2[c:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][c:12]1[O:13][C:14]21[CH2:15][CH2:16][N:17]([C:29]([c:28]2[c:23]3[n:22][cH:21][nH:20][c:24]3[cH:25][cH:26][cH:27]2)=[O:30])[CH2:18][CH2:19]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 961HydroxideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 27717581H-benzimidazole-4-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 585507381-Methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]

Product 1

HCID 58550819(1H-benzo[d]imidazol-4-yl)(1-methyl-1H-spiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone

Sources & evidence

ORD record
ord-7a7416cc4dd14bd3b9b37f4e56430b1a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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