Methylparaben → HCID 18177892, compound

HRID 671983Notes

Reaction equation

HRID 671983 reaction equation
[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH3:1][C:2]1([CH3:22])[c:3]2[cH:4][cH:5][c:6]([CH:14]([CH2:15][OH:16])[CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[cH:7][c:8]2[C:9]([CH3:12])([CH3:13])[CH2:10][CH2:11]1.[O:53]=[C:54]([O:55][CH2:56][CH3:57])[N:58]=[N:59][C:60]([O:61][CH2:62][CH3:63])=[O:64].[OH:42][c:43]1[cH:44][cH:45][c:46]([C:47](=[O:48])[O:49][CH3:50])[cH:51][cH:52]1.[c:23]1([P:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[CH3:1][C:2]1([CH3:22])[c:3]2[cH:4][cH:5][c:6]([CH:14]([CH2:15][O:16][c:43]3[cH:44][cH:45][c:46]([C:47](=[O:48])[O:49][CH3:50])[cH:51][cH:52]3)[CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[cH:7][c:8]2[C:9]([CH3:12])([CH3:13])[CH2:10][CH2:11]1

Participants

6

Reactant 5

HCID 7456MethylparabenHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 17949402HCID 17949402, compound

Product 1

HCID 18177892HCID 18177892, compound

Sources & evidence

ORD record
ord-2e38196d56714d76944e98dab7185a2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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