tert-Butanol → HCID 470751, compound
Reaction equation
[C:56]([OH:57])([CH3:58])([CH3:59])[CH3:60].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH2:13][CH3:14])[c:9]1[c:8]([cH:18][c:17]([CH2:19][CH2:20][c:21]3[cH:22][c:23]([C:27]([OH:28])=[O:29])[n:24][cH:25][cH:26]3)[cH:16][n:15]1)[C:7](=[O:30])[N:6]2[CH3:31].[c:39]1([P:40]([N:41]=[N+:42]=[N-:43])([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)=[O:50])[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH2:13][CH3:14])[c:9]1[c:8]([cH:18][c:17]([CH2:19][CH2:20][c:21]3[cH:22][c:23]([NH2:34])[n:24][cH:25][cH:26]3)[cH:16][n:15]1)[C:7](=[O:30])[N:6]2[CH3:31]Participants
5
Sources & evidence
- ORD record
- ord-5de1c59c5b234a5cac0320c30392c210
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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