Hexane → HCID 15952866, compound

Reaction equation

[C:1]([CH3:2])(=[O:3])[c:4]1[c:5](-[c:10]2[cH:11][cH:12][c:13]([C:16](=[O:17])[N:18]3[CH2:19][c:20]4[n:21]([c:29]([C:32](=[O:33])[NH:34][CH2:35][c:36]5[cH:37][n:38][cH:39][cH:40][cH:41]5)[cH:30][cH:31]4)[CH2:22][c:23]4[c:24]3[cH:25][cH:26][cH:27][cH:28]4)[cH:14][cH:15]2)[cH:6][cH:7][cH:8][cH:9]1.[C:48]([O:49][CH2:50][CH3:51])(=[O:52])[CH3:53].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47]>>[CH:1]([CH3:2])([OH:3])[c:4]1[c:5](-[c:10]2[cH:11][cH:12][c:13]([C:16](=[O:17])[N:18]3[CH2:19][c:20]4[n:21]([c:29]([C:32](=[O:33])[NH:34][CH2:35][c:36]5[cH:37][n:38][cH:39][cH:40][cH:41]5)[cH:30][cH:31]4)[CH2:22][c:23]4[c:24]3[cH:25][cH:26][cH:27][cH:28]4)[cH:14][cH:15]2)[cH:6][cH:7][cH:8][cH:9]1

Participants

Reactant 3

HCID 8058Hexane

HCID 8857Ethyl Acetate

HCID 15952181HCID 15952181, compound

Product 1

HCID 15952866HCID 15952866, compound

Sources & evidence

ORD record: ord-5556f01881c84189b92903ec58b9747d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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