Methylparaben → HCID 68444638, compound

HRID 682399Notes

Reaction equation

HRID 682399 reaction equation
[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[CH:12]2[CH2:13][CH2:14][CH:15]([OH:18])[CH2:16][CH2:17]2)[CH2:8][CH2:9]1.[N:49]([C:50]([O:51][C:52]([CH3:53])([CH3:54])[CH3:55])=[O:56])=[N:57][C:58]([O:59][C:60]([CH3:61])([CH3:62])[CH3:63])=[O:64].[OH:19][c:20]1[cH:21][cH:22][c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29]1.[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[CH:12]2[CH2:13][CH2:14][CH:15]([O:18][c:20]3[cH:21][cH:22][c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29]3)[CH2:16][CH2:17]2)[CH2:8][CH2:9]1

Participants

6

Reactant 5

HCID 7456MethylparabenHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 97268Di-tert-butyl azodicarboxylateHCID 57538855cis-(4-Isopropyl-piperazin-1-yl)-(4-hydroxycyclohexyl)-methanone

Product 1

HCID 68444638HCID 68444638, compound

Sources & evidence

ORD record
ord-9526781436eb43d59c2ae51861cb5890
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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