N,N-Dimethyl-1,3-propanediamine → 4'-(2-Phenoxy-ethylsulfanylmethyl)-biphenyl4-carboxylic acid (3-dimethylamino-propyl)-amide
Reaction equation
[C:27]([n:28]1[cH:29][cH:30][n:31][cH:32]1)([n:33]1[cH:34][cH:35][n:36][cH:37]1)=[O:38].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:39][N:40]([CH2:41][CH2:42][CH2:43][NH2:44])[CH3:45].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][S:10][CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[cH:19][cH:20][c:21]([C:24](=[O:25])[OH:26])[cH:22][cH:23]2)[cH:16][cH:17]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][S:10][CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[cH:19][cH:20][c:21]([C:24](=[O:26])[NH:44][CH2:43][CH2:42][CH2:41][N:40]([CH3:39])[CH3:45])[cH:22][cH:23]2)[cH:16][cH:17]1Participants
5
Sources & evidence
- ORD record
- ord-ee4f326612754a9f9f6736e8731f4417
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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