Toluene → HCID 13371145, compound

HRID 135702Notes

Reaction equation

HRID 135702 reaction equation
[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH:11]1([C:17]([C:18](=[O:19])[O:20][CH2:21][CH3:22])([OH:23])[C:24]#[C:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1.[N:1]12[CH2:2][CH:3]([OH:9])[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2.[Na:10]>>[N:1]12[CH2:2][CH:3]([O:9][C:18]([C:17]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]3)([OH:23])[C:24]#[C:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)=[O:19])[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2

Participants

5

Sources & evidence

ORD record
ord-a5381df91d1a4b91b8d2d3bcf0ec3466
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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