Hexane → HCID 10194889, compound

HRID 1574910Notes

Reaction equation

HRID 1574910 reaction equation
[C:32]([O:33][CH2:34][CH3:35])(=[O:36])[CH3:37].[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].[F:1][c:2]1[cH:3][cH:4][c:5]([O:19][CH3:20])[c:6]([C:8]([CH2:9][C:10]2([C:13]([F:14])([F:15])[F:16])[O:11][CH2:12]2)([CH3:17])[CH3:18])[cH:7]1.[NH2:21][c:22]1[c:23]2[cH:24][cH:25][cH:26][n:27][c:28]2[cH:29][cH:30][cH:31]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:19][CH3:20])[c:6]([C:8]([CH2:9][C:10]([OH:11])([CH2:12][NH:21][c:22]2[c:23]3[cH:24][cH:25][cH:26][n:27][c:28]3[cH:29][cH:30][cH:31]2)[C:13]([F:14])([F:15])[F:16])([CH3:17])[CH3:18])[cH:7]1

Participants

5

Sources & evidence

ORD record
ord-e9850d8b5b984e99807aa7b1d62c1fed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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