6,7-Diamino-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid → HCID 54178200, compound
Reaction equation
[N:37]1([CH:43]([CH2:44][CH3:45])[NH2:46])[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[NH2:22][c:23]1[c:24]([NH2:25])[cH:26][c:27]2[c:32]([c:33]1[C:34]([OH:35])=[O:36])[O:31][CH2:30][CH2:29][O:28]2.[NH:1]([C:2](=[O:3])[CH3:4])[c:5]1[c:6]([C:19](=[O:20])[OH:21])[c:7]2[c:8]([cH:13][c:14]1[NH:15][C:16](=[O:17])[CH3:18])[O:9][CH2:10][CH2:11][O:12]2>>[NH:1]([C:2](=[O:3])[CH3:4])[c:5]1[c:6]([C:19](=[O:21])[NH:46][CH:43]([N:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[CH2:44][CH3:45])[c:7]2[c:8]([cH:13][c:14]1[NH:15][C:16](=[O:17])[CH3:18])[O:9][CH2:10][CH2:11][O:12]2Participants
4
Sources & evidence
- ORD record
- ord-64149a7d00c84d8ea85f1b1ce53045f3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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