Benzyl isocyanate → HCID 86604540, compound
Reaction equation
[CH2:55]([c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)[N:62]=[C:63]=[O:64].[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH:10]([O:43][CH2:44][c:45]3[cH:46][c:47]4[cH:48][cH:49][cH:50][cH:51][c:52]4[cH:53][cH:54]3)[CH2:11][N:12]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:13][CH:14]2[CH2:15][O:16][C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:7][cH:8]1>>[O:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH:10]([O:43][CH2:44][c:45]3[cH:46][c:47]4[cH:48][cH:49][cH:50][cH:51][c:52]4[cH:53][cH:54]3)[CH2:11][N:12]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:13][CH:14]2[CH2:15][O:16][C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:7][cH:8]1)[C:63]([NH:62][CH2:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)=[O:64]Participants
3
Sources & evidence
- ORD record
- ord-bc3f83f934a246a4a93caa1f0787f6e3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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