6-ethoxycarbonyl-N2,N4-bis(ethoxycarbonylmethyl)-5-nitro-2,4-pyrimidinediamine → HCID 22060313, compound
Reaction equation
[CH2:29]([CH3:30])[O:31][C:32](=[O:33])[c:34]1[c:35]([N+:54]([O-:55])=[O:56])[c:36]([NH:47][CH2:48][C:49](=[O:50])[O:51][CH2:52][CH3:53])[n:37][c:38]([NH:40][CH2:41][C:42](=[O:43])[O:44][CH2:45][CH3:46])[n:39]1.[H:57][H:58].[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]([NH2:54])[c:36]([NH:47][CH2:48][C:49](=[O:50])[O:51][CH2:52][CH3:53])[n:37][c:38]([NH:40][CH2:41][C:42](=[O:43])[O:44][CH2:45][CH3:46])[n:39]1Participants
4
Sources & evidence
- ORD record
- ord-91a0ed3fade44665b3e300d3821126b3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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