1-Octanol → HCID 178443704, compound

HRID 2329737Notes

Reaction equation

HRID 2329737 reaction equation
[C:32]([CH3:33])([CH3:34])([CH3:35])[c:36]1[cH:37][c:38]([O:50][SiH:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:39](-[c:42]2[cH:43][cH:44][c:45]([OH:49])[c:46]([F:48])[n:47]2)[cH:40][cH:41]1.[CH2:64]([CH2:65][CH2:66][CH2:67][CH2:68][CH2:69][CH2:70][CH3:71])[OH:72].[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[O:73]1[CH2:74][CH2:75][CH2:76][CH2:77]1.[c:13]1([P:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[C:32]([CH3:33])([CH3:34])([CH3:35])[c:36]1[cH:37][c:38]([O:50][SiH:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:39](-[c:42]2[cH:43][cH:44][c:45]([O:49][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH2:69][CH2:70][CH3:71])[c:46]([F:48])[n:47]2)[cH:40][cH:41]1

Participants

6

Sources & evidence

ORD record
ord-d5f5fa95e23445ff9c9c25fb61dd3160
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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