4-((4-Methylpiperazin-1-yl)methyl)aniline → HCID 68678839, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7](=[O:29])[c:8]2[c:9]([n:10][c:11]([S:14]([CH3:15])(=[O:16])=[O:17])[n:12][cH:13]2)[n:18](-[c:20]2[cH:21][c:22]3[c:26]([cH:27][cH:28]2)[CH2:25][CH2:24][CH2:23]3)[cH:19]1.[CH3:30][N:31]1[CH2:32][CH2:33][N:34]([CH2:37][c:38]2[cH:39][cH:40][c:41]([NH2:44])[cH:42][cH:43]2)[CH2:35][CH2:36]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7](=[O:29])[c:8]2[c:9]([n:10][c:11]([NH:44][c:41]3[cH:40][cH:39][c:38]([CH2:37][N:34]4[CH2:33][CH2:32][N:31]([CH3:30])[CH2:36][CH2:35]4)[cH:43][cH:42]3)[n:12][cH:13]2)[n:18](-[c:20]2[cH:21][c:22]3[c:26]([cH:27][cH:28]2)[CH2:25][CH2:24][CH2:23]3)[cH:19]1Participants
3
Sources & evidence
- ORD record
- ord-4bc1cf4c38e24fdeac23c5c8b5d2d1e0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…