Acetic Acid → HCID 11755748, compound

HRID 2319229Notes

Reaction equation

HRID 2319229 reaction equation
[CH2:56]([Cl:57])[Cl:58].[CH3:1][C:2]1([CH2:13][N:14]2[CH2:15][CH2:16][N:17]([C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:18][CH2:19]2)[CH2:3][n:4]2[c:5]([n:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]2)[O:6]1.[CH3:52][C:53](=[O:54])[OH:55].[F:34][C:35]([c:36]1[cH:37][cH:38][c:39](-[c:42]2[cH:43][cH:44][c:45]([CH:48]=[O:49])[cH:46][cH:47]2)[cH:40][cH:41]1)([F:50])[F:51].[OH:27][C:28]([C:29]([F:30])([F:31])[F:32])=[O:33]>>[CH3:1][C:2]1([CH2:13][N:14]2[CH2:15][CH2:16][N:17]([CH2:20][c:45]3[cH:44][cH:43][c:42](-[c:39]4[cH:38][cH:37][c:36]([C:35]([F:34])([F:50])[F:51])[cH:41][cH:40]4)[cH:47][cH:46]3)[CH2:18][CH2:19]2)[CH2:3][n:4]2[c:5]([n:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]2)[O:6]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 27827124'-(Trifluoromethyl)-4-biphenylcarbaldehydeHCID 230810802-(4-Tert-butoxycarbonylpiperazin-1-yl)methyl-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole

Product 1

HCID 11755748HCID 11755748, compound

Sources & evidence

ORD record
ord-1ae49c6d200144f38503df99d0d08f04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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