tert-Butyl isocyanate → HCID 49763573, compound
Reaction equation
[C:35]([CH3:36])([CH3:37])([CH3:38])[N:39]=[C:40]=[O:41].[NH2:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][CH2:8][C:9]([NH:10][CH:11]2[CH2:12][N:13]([CH:15]3[CH2:16][CH2:17][CH:18]([c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[CH2:19][CH2:20]3)[CH2:14]2)=[O:27])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1>>[NH:1]([c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][CH2:8][C:9]([NH:10][CH:11]2[CH2:12][N:13]([CH:15]3[CH2:16][CH2:17][CH:18]([c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[CH2:19][CH2:20]3)[CH2:14]2)=[O:27])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1)[C:40]([NH:39][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:41]Participants
3
Sources & evidence
- ORD record
- ord-ed945e5dbcd5486492b8aa02f2002eb1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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