HCID 22060817, compound → 5-amino-6-ethoxycarbonyl-N2,N4-bis(3,4-ethylenedioxyphenyl)-2,4-pyrimidinediamine
Reaction equation
[CH2:29]([CH3:30])[O:31][C:32](=[O:33])[c:34]1[c:35]([N+:62]([O-:63])=[O:64])[c:36]([NH:51][c:52]2[cH:53][c:54]3[c:55]([cH:56][cH:57]2)[O:58][CH2:59][CH2:60][O:61]3)[n:37][c:38]([NH:40][c:41]2[cH:42][c:43]3[c:44]([cH:45][cH:46]2)[O:47][CH2:48][CH2:49][O:50]3)[n:39]1.[H:65][H:66].[NH2:1][c:2]1[c:3]([NH:4][c:5]2[cH:6][cH:7][cH:8][c:9]([OH:10])[cH:11]2)[n:12][c:13]([NH:14][c:15]2[cH:16][cH:17][cH:18][c:19]([OH:20])[cH:21]2)[n:22][c:23]1[C:24]([O:25][CH2:26][CH3:27])=[O:28]>>[CH2:29]([CH3:30])[O:31][C:32](=[O:33])[c:34]1[c:35]([NH2:62])[c:36]([NH:51][c:52]2[cH:53][c:54]3[c:55]([cH:56][cH:57]2)[O:58][CH2:59][CH2:60][O:61]3)[n:37][c:38]([NH:40][c:41]2[cH:42][c:43]3[c:44]([cH:45][cH:46]2)[O:47][CH2:48][CH2:49][O:50]3)[n:39]1Participants
4
Sources & evidence
- ORD record
- ord-2ac7e7158e804bb3b21a1c6be046d01a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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