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Sodium Ion → 4'-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-ylmethyl)-amino]-biphenyl-2-sulfonic acid tert-butylamide

HRID 696328
Notes
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Reaction equation

HRID 696328 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]1
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 923Sodium Ion2×HCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 6344DichloromethaneHCID 28123Borohydride
HCID 10804475
N-tert-butyl-4'-aminobiphenyl-2-sulfonamide
HCID 156199462,2,8-trimethyl-4H-(1,3)dioxino(4,5-c)pyridine-5-carbaldehyde

Product 1

HCID 598525204'-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-ylmethyl)-amino]-biphenyl-2-sulfonic acid tert-butylamide

Sources & evidence

ORD record
ord-825bec97b17a44e4a776065b6efb5de5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes