Sodium ion → 4'-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-ylmethyl)-amino]-biphenyl-2-sulfonic acid tert-butylamide
Reaction equation
[BH4-:49].[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[c:10](-[c:15]2[cH:16][cH:17][c:18]([NH2:21])[cH:19][cH:20]2)[cH:11][cH:12][cH:13][cH:14]1.[CH3:34][C:35]1([CH3:48])[O:36][CH2:37][c:38]2[c:39]([c:40]([CH3:46])[n:41][cH:42][c:43]2[CH:44]=[O:45])[O:47]1.[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[Cl:53][CH2:54][Cl:55].[Na+:50].[Na+:52].[OH-:51].[OH2:22].[c:23]1([CH3:24])[cH:25][cH:26][c:27]([S:28]([OH:29])(=[O:30])=[O:31])[cH:32][cH:33]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[c:10](-[c:15]2[cH:16][cH:17][c:18]([NH:21][CH2:44][c:43]3[c:38]4[c:39]([c:40]([CH3:46])[n:41][cH:42]3)[O:47][C:35]([CH3:34])([CH3:48])[O:36][CH2:37]4)[cH:19][cH:20]2)[cH:11][cH:12][cH:13][cH:14]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-825bec97b17a44e4a776065b6efb5de5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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