Dichloromethane → [4-(5-Heptylpyrimidin-2-yl)phenyl] 5-amino-2-nitro-4-octan-2-yloxybenzoate
Reaction equation
[CH2:23]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[c:30]1[cH:31][n:32][c:33](-[c:36]2[cH:37][cH:38][c:39]([OH:42])[cH:40][cH:41]2)[n:34][cH:35]1.[CH3:58][N:59]([CH3:60])[c:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1.[CH:43]1([N:44]=[C:45]=[N:46][CH:47]2[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1.[Cl:67][CH2:68][Cl:69].[NH2:1][c:2]1[c:3]([O:14][CH:15]([CH3:16])[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[cH:4][c:5]([N+:11](=[O:12])[O-:13])[c:6]([C:7](=[O:8])[OH:9])[cH:10]1>>[NH2:1][c:2]1[c:3]([O:14][CH:15]([CH3:16])[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[cH:4][c:5]([N+:11](=[O:12])[O-:13])[c:6]([C:7](=[O:8])[O:9][c:39]2[cH:38][cH:37][c:36](-[c:33]3[n:32][cH:31][c:30]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[cH:35][n:34]3)[cH:41][cH:40]2)[cH:10]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-d74dccf1fa6d4daea4362b64f395a417
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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