Acetic Acid → HCID 54769741, compound

HRID 1210833Notes

Reaction equation

HRID 1210833 reaction equation
[B-:41]([F:42])([F:43])([F:44])[F:45].[CH3:37][C:38]([OH:39])=[O:40].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[ClH:1].[ClH:2].[ClH:3].[Na+:64].[O:4]1[CH2:5][CH2:6][c:7]2[c:8]([N:13]3[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][CH:21]4[CH2:22][CH2:23][CH:24]([NH2:27])[CH2:25][CH2:26]4)[CH2:17][CH2:18]3)[n:9][cH:10][cH:11][c:12]21.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH-:63].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[O:4]1[CH2:5][CH2:6][c:7]2[c:8]([N:13]3[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][CH:21]4[CH2:22][CH2:23][CH:24]([NH:27][C:38]([CH3:37])=[O:39])[CH2:25][CH2:26]4)[CH2:17][CH2:18]3)[n:9][cH:10][cH:11][c:12]21

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 313Hydrochloric Acid3×HCID 923Sodium ionHCID 961HydroxideHCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 585673424-[2-[4-(2,3-Dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine

Product 1

HCID 54769741HCID 54769741, compound

Sources & evidence

ORD record
ord-446e8dc24596465e91cbdd3cb43ab8a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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