Ammonium → 5-(2-Iodo-ethyl)-2-pentyl-benzoxazole
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[c:6]1[o:7][c:8]2[c:9]([n:10]1)[cH:11][c:12]([CH2:15][CH2:16][OH:17])[cH:13][cH:14]2.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:50][CH2:51][O:52][CH2:53][CH3:54].[ClH:43].[I-:42].[NH4+:44].[c:18]1([P:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1.[nH:37]1[cH:38][cH:39][n:40][cH:41]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[c:6]1[o:7][c:8]2[c:9]([n:10]1)[cH:11][c:12]([CH2:15][CH2:16][I:42])[cH:13][cH:14]2Participants
9
Sources & evidence
- ORD record
- ord-527becbc92fe48d9a78a2fc6bf777a6e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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