1,2-Dichloroethane → (20-Hydroxy-20-octadeca-9,12-dienyloctatriaconta-6,9,29,32-tetraen-19-yl) 5-(dimethylamino)pentanoate
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[C:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH:28]=[CH:29][CH2:30][CH:31]=[CH:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])([CH:38]([CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH:47]=[CH:48][CH2:49][CH:50]=[CH:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56])[OH:57])[OH:58].[CH2:69]([Cl:70])[CH2:71][Cl:72].[CH3:59][N:60]([CH2:61][CH2:62][CH2:63][CH2:64][C:65](=[O:66])[OH:67])[CH3:68].[CH3:83][N:84]([c:85]1[cH:86][cH:87][n:88][cH:89][cH:90]1)[CH3:91].[CH:74]([N:75]([CH2:76][CH3:77])[CH:78]([CH3:79])[CH3:80])([CH3:81])[CH3:82].[Cl:92][CH2:93][Cl:94].[ClH:73]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[C:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH:28]=[CH:29][CH2:30][CH:31]=[CH:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])([CH:38]([CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH:47]=[CH:48][CH2:49][CH:50]=[CH:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56])[O:57][C:65]([CH2:64][CH2:63][CH2:62][CH2:61][N:60]([CH3:59])[CH3:68])=[O:66])[OH:58]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-42a1bf4e0c7441ef8787b50da5b113e6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…