Sodium ion → HCID 69309350, compound

HRID 104766Notes

Reaction equation

HRID 104766 reaction equation
[CH2:23]1[O:24][CH2:25][CH2:26][CH2:27]1.[Cl:1][c:2]1[cH:3][c:4]2[c:5]([c:6]3[cH:7][n:8][nH:9][c:10]13)[CH2:11][N:12]([CH2:18][C:19]([F:20])([F:21])[F:22])[C:13](=[O:17])[CH:14]([OH:16])[CH2:15]2.[H-:28].[Na+:29].[O:30]=[c:31]1[nH:32][c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[cH:39][c:40]1[CH:41]1[CH2:42][CH2:43][N:44]([C:47](=[O:48])[O:49][c:50]2[cH:51][cH:52][c:53]([N+:54]([O-:55])=[O:56])[cH:57][cH:58]2)[CH2:45][CH2:46]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([c:6]3[cH:7][n:8][nH:9][c:10]13)[CH2:11][N:12]([CH2:18][C:19]([F:20])([F:21])[F:22])[C:13](=[O:17])[CH:14]([O:16][C:47]([N:44]1[CH2:43][CH2:42][CH:41]([c:40]3[c:31](=[O:30])[nH:32][c:33]4[cH:34][cH:35][cH:36][cH:37][c:38]4[cH:39]3)[CH2:46][CH2:45]1)=[O:48])[CH2:15]2

Participants

6

Reactant 5

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 166653HydrideHCID 673190884-Chloro-7-hydroxy-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-8-oneHCID 693108914-Nitrophenyl 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxylate

Product 1

HCID 69309350HCID 69309350, compound

Sources & evidence

ORD record
ord-9ddd0570efd44c1ebaad389445e23ec7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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