5-Isocyanato-1,2,3-trimethoxybenzene → HCID 22257667, compound
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([N:13]=[C:14]=[O:15])[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10].[Cl:16][c:17]1[cH:18][c:19]([CH2:24][CH:25]2[CH2:26][CH2:27][N:28]([CH2:29][CH:30]([NH2:31])[CH:32]([CH3:33])[CH3:34])[CH2:35][CH2:36]2)[cH:20][cH:21][c:22]1[Cl:23].[Cl:37][c:38]1[cH:39][c:40]([CH2:41][CH:42]2[CH2:43][CH2:44][N:45]([CH2:48][CH:49]([C:50]([CH3:51])([CH3:52])[CH3:53])[NH2:54])[CH2:46][CH2:47]2)[cH:55][cH:56][c:57]1[Cl:58]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([NH:13][C:14](=[O:15])[NH:54][CH:49]([CH2:48][N:45]2[CH2:44][CH2:43][CH:42]([CH2:41][c:40]3[cH:39][c:38]([Cl:37])[c:57]([Cl:58])[cH:56][cH:55]3)[CH2:47][CH2:46]2)[C:50]([CH3:51])([CH3:52])[CH3:53])[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10]Participants
4
Sources & evidence
- ORD record
- ord-92cb45e8b49b4a32b6645d4ba384f9f6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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