Carbon Dioxide → Hexahydro-2,5-methanopentalene-3a[1H]-carboxylic acid 3-[4-(2-pyrimidyl)-1-piperazinyl]propyl ester

HRID 162341

Reaction equation

HRID 162341 reaction equation
[C:13]([c:14]1[nH:15][cH:16][cH:17][n:18]1)([c:19]1[nH:20][cH:21][cH:22][n:23]1)=[O:24].[C:25](=[O:26])=[O:27].[CH2:1]1[CH:2]2[CH2:3][C:4]3([C:10](=[O:11])[OH:12])[CH2:5][CH:6]([CH2:7][CH:8]13)[CH2:9]2.[CH:44]([Cl:45])([Cl:46])[Cl:47].[n:28]1[c:29]([N:34]2[CH2:35][CH2:36][N:37]([CH2:40][CH2:41][CH2:42][OH:43])[CH2:38][CH2:39]2)[n:30][cH:31][cH:32][cH:33]1>>[CH2:1]1[CH:2]2[CH2:3][C:4]3([C:10]([O:11][CH2:42][CH2:41][CH2:40][N:37]4[CH2:36][CH2:35][N:34]([c:29]5[n:28][cH:33][cH:32][cH:31][n:30]5)[CH2:39][CH2:38]4)=[O:12])[CH2:5][CH:6]([CH2:7][CH:8]13)[CH2:9]2

Participants

6

Reactant 5

HCID 280Carbon DioxideHCID 6212ChloroformHCID 2733865Hexahydro-2,5-methanopentalene-3a(1H)-carboxylic acidHCID 5250894Bis-(1H-imidazol-2-YL)-methanoneHCID 148778683-[1-(2-Pyrimidyl)-4-piperazinyl]propanol

Product 1

HCID 14877869Hexahydro-2,5-methanopentalene-3a[1H]-carboxylic acid 3-[4-(2-pyrimidyl)-1-piperazinyl]propyl ester

Sources & evidence

ORD record
ord-0165ec13424e4552947f4f0c90c68b54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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