Acetic Acid → HCID 136056881, compound

HRID 2133306Notes

Reaction equation

HRID 2133306 reaction equation
[CH3:29][C:30](=[O:31])[OH:32].[Cl:46][CH2:47][Cl:48].[N:33]1([C:39]([O:40][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45])[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1.[O:1]=[c:2]1[nH:3][n:4][c:5]2[c:6]3[c:7]([cH:8][cH:9][cH:10][c:11]13)[NH:12][CH:13]([c:21]1[cH:22][cH:23][c:24]([CH:25]=[O:26])[cH:27][cH:28]1)[CH:14]2[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[O:1]=[c:2]1[nH:3][n:4][c:5]2[c:6]3[c:7]([cH:8][cH:9][cH:10][c:11]13)[NH:12][CH:13]([c:21]1[cH:22][cH:23][c:24]([CH2:25][N:33]3[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]3)[cH:27][cH:28]1)[CH:14]2[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 6344DichloromethaneHCID 143452tert-Butyl piperazine-1-carboxylateHCID 136344752HCID 136344752, compound

Product 1

HCID 136056881HCID 136056881, compound

Sources & evidence

ORD record
ord-a9b386dffc3a4fd1965b02a8dd40761b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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