Toluene → HCID 9954062, compound

HRID 2325179Notes

Reaction equation

HRID 2325179 reaction equation
[C:27]1(=[O:31])[CH2:28][CH2:29][O:30]1.[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([n:14]3[cH:15][cH:16][c:17]4[cH:18][cH:19][c:20]([CH2:23][NH2:24])[cH:21][c:22]34)[CH2:12][CH2:13]2)[cH:25][cH:26]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([n:14]3[cH:15][cH:16][c:17]4[cH:18][cH:19][c:20]([CH2:23][NH:24][C:29]([CH2:28][CH2:27][OH:31])=[O:30])[cH:21][c:22]34)[CH2:12][CH2:13]2)[cH:25][cH:26]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 2365Beta-PropiolactoneHCID 22038390HCID 22038390, compound

Product 1

HCID 9954062HCID 9954062, compound

Sources & evidence

ORD record
ord-b53ecc3deba04476be5b3697f9d5d83c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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