Benzene → HCID 21538047, compound

HRID 177031Notes

Reaction equation

HRID 177031 reaction equation
[CH2:37]([CH3:38])[O:39][C:40](=[O:41])[NH:42][NH2:43].[cH:1]1[c:2]2[c:16]([cH:17][cH:18][cH:19]1)[O:15][c:10]1[c:9]([cH:14][cH:13][cH:12][cH:11]1)[CH:3]2[C:4]([N:5]=[N+:6]=[N-:7])=[O:8].[cH:20]1[cH:21][cH:22][cH:23][c:24]2[c:33]1[CH:32]([N:34]=[C:35]=[O:36])[c:31]1[c:26]([cH:27][cH:28][cH:29][cH:30]1)[O:25]2.[cH:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[cH:20]1[cH:21][cH:22][cH:23][c:24]2[c:33]1[CH:32]([NH:34][C:35](=[O:36])[NH:43][NH:42][C:40]([O:39][CH2:37][CH3:38])=[O:41])[c:31]1[c:26]([cH:27][cH:28][cH:29][cH:30]1)[O:25]2

Participants

5

Sources & evidence

ORD record
ord-d96a93dc99b14267bbec5a9b464ee7ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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