Hexane → HCID 23113995, compound

HRID 2334390Notes

Reaction equation

HRID 2334390 reaction equation
[Br:1][c:2]1[c:3]([CH3:29])[c:4]([NH:21][C:22]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[c:5]([CH3:20])[c:6]2[c:10]1[O:9][CH2:8][CH:7]2[c:11]1[cH:12][cH:13][c:14]([CH:17]([CH3:18])[CH3:19])[cH:15][cH:16]1.[C:40]([O:41][CH2:42][CH3:43])(=[O:44])[CH3:45].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[F:30][c:31]1[cH:32][cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][n:36]1>>[c:2]1(-[c:34]2[cH:33][cH:32][c:31]([F:30])[n:36][cH:35]2)[c:3]([CH3:29])[c:4]([NH:21][C:22]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[c:5]([CH3:20])[c:6]2[c:10]1[O:9][CH2:8][CH:7]2[c:11]1[cH:12][cH:13][c:14]([CH:17]([CH3:18])[CH3:19])[cH:15][cH:16]1

Participants

5

Sources & evidence

ORD record
ord-0485e3f9ceea477cbe941a43e8d29a29
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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