Sodium ion → 5-Chloro-3-[2-tritylamino-3-(1-trityl-4-imidazolyl)propoxy]-1,2-benzoisoxazole
Reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][CH:21]([CH2:22][OH:23])[CH2:24][c:25]1[n:26][cH:27][n:28]([C:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:29]1.[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[Cl:51][c:52]1[n:53][o:54][c:55]2[c:56]1[cH:57][c:58]([Cl:61])[cH:59][cH:60]2.[H-:49].[Na+:50]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][CH:21]([CH2:22][O:23][c:52]1[n:53][o:54][c:55]2[c:56]1[cH:57][c:58]([Cl:61])[cH:59][cH:60]2)[CH2:24][c:25]1[n:26][cH:27][n:28]([C:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:29]1Participants
6
Sources & evidence
- ORD record
- ord-1c060b35aa03472ba374c67f60188876
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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