Acetic Acid → HCID 11294461, compound

HRID 289013Notes

Reaction equation

HRID 289013 reaction equation
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH3:53][C:54](=[O:55])[OH:56].[Cl:22][c:23]1[n:24][c:25]2[cH:26][cH:27][c:28]([CH3:35])[cH:29][c:30]2[cH:31][c:32]1[CH:33]=[O:34].[Cl:50][CH2:51][Cl:52].[Na+:49].[o:1]1[c:2](-[c:6]2[n:7][n:8]3[c:9]([n:10][c:11]([N:15]4[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]4)[n:12][c:13]3[NH2:14])[cH:21]2)[cH:3][cH:4][cH:5]1>>[o:1]1[c:2](-[c:6]2[n:7][n:8]3[c:9]([n:10][c:11]([N:15]4[CH2:16][CH2:17][N:18]([CH2:33][c:32]5[c:23]([Cl:22])[n:24][c:25]6[cH:26][cH:27][c:28]([CH3:35])[cH:29][c:30]6[cH:31]5)[CH2:19][CH2:20]4)[n:12][c:13]3[NH2:14])[cH:21]2)[cH:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 6890812-Chloro-6-methylquinoline-3-carboxaldehydeHCID 2724942TriacetoxyborohydrideHCID 694325217-Furan-2-yl-2-piperazin-1-yl-pyrazolo[1,5-a][1,3,5]triazin-4-ylamine

Product 1

HCID 11294461HCID 11294461, compound

Sources & evidence

ORD record
ord-758bbb6ff6fe46b092276e533d72a3ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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