Hydrochloric Acid → Hydrochloric Acid

HRID 689174Notes

Reaction equation

HRID 689174 reaction equation
[C:30]([CH3:31])([CH3:32])([CH3:33])[c:34]1[cH:35][cH:36][c:37]([CH:38]=[O:39])[cH:40][cH:41]1.[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[Cl:61][CH2:62][Cl:63].[ClH:1].[F:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH2:10][CH2:11][CH2:12][NH:13][C:14]([CH:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[NH:20][CH3:21])=[O:22])[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:7][cH:8]1.[Na+:55].[Na+:60].[O-:56][C:57]([OH:58])=[O:59]>>[ClH:1].[F:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH2:10][CH2:11][CH2:12][NH:13][C:14]([CH:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[N:20]([CH3:21])[CH2:38][c:37]2[cH:36][cH:35][c:34]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:41][cH:40]2)=[O:22])[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:7][cH:8]1

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 703244-tert-ButylbenzaldehydeHCID 2724942TriacetoxyborohydrideHCID 9843274HCID 9843274, compound

Product 2

HCID 313Hydrochloric AcidHCID 178445219HCID 178445219, compound

Sources & evidence

ORD record
ord-f609472422304e39bb9a6cdab8c80639
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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