N,N-Dimethyl-1,3-propanediamine → HCID 21108971, compound
Reaction equation
[CH3:37][N:38]([CH2:39][CH2:40][CH2:41][NH2:42])[CH3:43].[CH3:59][N:60]([CH3:61])[c:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1.[CH:44]1([N:45]=[C:46]=[N:47][CH:48]2[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]2)[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]1.[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][O:10][S:11][CH2:12][c:13]1[n:14][n:15][c:16](-[c:18]2[cH:19][cH:20][c:21]([C:22](=[O:23])[OH:24])[cH:25][cH:26]2)[o:17]1.[OH:27][n:28]1[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][O:10][S:11][CH2:12][c:13]1[n:14][n:15][c:16](-[c:18]2[cH:19][cH:20][c:21]([C:22](=[O:24])[NH:42][CH2:41][CH2:40][CH2:39][N:38]([CH3:37])[CH3:43])[cH:25][cH:26]2)[o:17]1Participants
6
Sources & evidence
- ORD record
- ord-98c615de35a5402895e5e9a6f6ef476c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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