Benzene → HCID 18782123, compound

HRID 1142547Notes

Reaction equation

HRID 1142547 reaction equation
[C:40]([BH3-:41])#[N:42].[ClH:43].[N+:17](=[O:18])([O-:19])[c:20]1[cH:21][cH:22][c:23]([CH:24]=[O:25])[cH:26][cH:27]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[N:8]([S:11](=[O:12])(=[O:13])[CH3:14])[CH2:7][CH:6]2[CH2:15][Cl:16].[OH2:28].[c:29]1([CH3:30])[c:31]([S:32]([OH:33])(=[O:34])=[O:35])[cH:36][cH:37][cH:38][cH:39]1.[cH:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[N:8]([S:11](=[O:12])(=[O:13])[CH3:14])[CH2:7][CH:6]2[CH2:15][Cl:16])[CH2:24][c:23]1[cH:22][cH:21][c:20]([N+:17](=[O:18])[O-:19])[cH:27][cH:26]1

Participants

8

Reactant 7

HCID 241BenzeneHCID 313Hydrochloric AcidHCID 5414-NitrobenzaldehydeHCID 962WaterHCID 69252-Methylbenzenesulfonic acidHCID 387492HCID 387492, compoundHCID 498716Cyano-borohydride

Product 1

HCID 18782123HCID 18782123, compound

Sources & evidence

ORD record
ord-7f67da0e1627489f98e6513902808485
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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