Ethyl isocyanate → 1-Ethyl-3-(7-nitro-5-pyridin-3-yl-benzothiazol-2-yl)-urea
Reaction equation
[CH2:20]([CH3:21])[N:22]=[C:23]=[O:24].[CH2:25]1[O:26][CH2:27][CH2:28][O:29][CH2:30]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6](-[c:14]2[cH:15][n:16][cH:17][cH:18][cH:19]2)[cH:7][c:8]2[n:9][c:10]([NH2:13])[s:11][c:12]12>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6](-[c:14]2[cH:15][n:16][cH:17][cH:18][cH:19]2)[cH:7][c:8]2[n:9][c:10]([NH:13][C:23]([NH:22][CH2:20][CH3:21])=[O:24])[s:11][c:12]12Participants
4
Sources & evidence
- ORD record
- ord-38fc84d39caf49a9936ec077527c7146
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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