Ethyl isocyanate → HCID 66777514, compound
Reaction equation
[CH2:44]([CH3:45])[N:46]=[C:47]=[O:48].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([CH3:35])[c:8]([CH:10]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[NH:17][c:18]3[cH:19][cH:20][c:21]([C:24](=[O:25])[N:26]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH3:34])[cH:22][cH:23]3)[o:9]2)[cH:36]1.[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([CH3:35])[c:8]([CH:10]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[NH:17][c:18]3[cH:19][cH:20][c:21]([C:24](=[O:25])[N:26]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH3:34])[cH:22][cH:23]3)[o:9]2)[cH:36]1)[C:47]([NH:46][CH2:44][CH3:45])=[O:48]Participants
5
Sources & evidence
- ORD record
- ord-a1f604eb1073486bbcb7cead8873f62a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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