tert-Butanol → HCID 9885020, compound
Reaction equation
[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:52][C:53]([OH:54])([CH3:55])[CH3:56].[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[n:7][cH:8][cH:9][cH:10][c:11]2[O:12][CH2:13][CH2:14][CH2:15][c:16]2[c:17]([C:22]([OH:23])=[O:24])[cH:18][n:19][cH:20][cH:21]2)[cH:25][cH:26][cH:27]1.[c:28]1([P:29]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)(=[O:38])[N:42]=[N+:30]=[N-:31])[cH:39][cH:40][cH:41][cH:43][cH:44]1>>[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[n:7][cH:8][cH:9][cH:10][c:11]2[O:12][CH2:13][CH2:14][CH2:15][c:16]2[c:17]([NH2:42])[cH:18][n:19][cH:20][cH:21]2)[cH:25][cH:26][cH:27]1Participants
5
Sources & evidence
- ORD record
- ord-32edd9b6d8f342d1b5e1f28ab1234acf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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