2-[8-(hydroxymethyl)-6H-benzo[c][1]benzoxepin-11-ylidene]propanenitrile → HCID 178437439, compound
Reaction equation
[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7][c:8]([CH3:12])[cH:9][c:10]2[CH3:11])[n:13]1[CH2:14][c:15]1[cH:16][cH:17][c:18]2[c:32]([cH:33]1)[CH2:31][O:30][c:29]1[c:24]([cH:25][cH:26][cH:27][cH:28]1)[C:19]2=[C:20]([CH3:21])[C:22]#[N:23].[OH:34][CH2:35][c:36]1[cH:37][cH:38][c:39]2[c:53]([cH:54]1)[CH2:52][O:51][c:50]1[c:45]([cH:46][cH:47][cH:48][cH:49]1)[C:40]2=[C:41]([CH3:42])[C:43]#[N:44]>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7][c:8]([CH3:12])[cH:9][c:10]2[CH3:11])[nH:13]1Participants
3
Sources & evidence
- ORD record
- ord-10033911c18045fc899171bd1bbcd25a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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