Ethyl 4-[3-[8-(4-isobutylphenyl)undecanoyl]1-indolyl]butyrate → HCID 22400541, compound
Reaction equation
[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([CH2:12][CH2:13][CH2:14][CH3:15])[O:16][CH2:17][CH2:18][C:19](=[O:20])[c:21]2[cH:22][n:23]([CH2:30][CH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)[cH:9][cH:10]1.[CH2:38]([c:39]1[cH:40][cH:41][c:42]([CH:43]([CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][C:53]([c:54]2[c:55]3[c:56]([cH:57][cH:58][cH:59][cH:60]3)[n:61]([CH2:62][CH2:63][CH2:64][C:65]([O:66][CH2:67][CH3:68])=[O:69])[cH:70]2)=[O:71])[cH:72][cH:73]1)[CH:74]([CH3:75])[CH3:76]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([CH2:12][CH2:13][CH2:14][CH3:15])[O:16][CH2:17][CH2:18][C:19](=[O:20])[c:21]2[cH:22][n:23]([CH2:30][CH2:31][CH2:32][C:33](=[O:34])[OH:35])[c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)[cH:9][cH:10]1Participants
3
Sources & evidence
- ORD record
- ord-4228fa81c7e64ae19209694c69be0c31
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…