Benzene → HCID 53654790, compound

HRID 2320444Notes

Reaction equation

HRID 2320444 reaction equation
[BH4-:57].[CH3:1][O:2][C:3]([CH2:4][SH:5])=[O:6].[CH3:77][N:78]([CH3:79])[CH:80]=[O:81].[CH3:88][CH2:89][O:90][C:91](=[O:92])[CH3:93].[Cl:8][CH:9]([CH2:10][CH3:11])[c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([F:24])[cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1.[ClH:76].[F:25][c:26]1[cH:27][cH:28][cH:29][cH:30][c:31]1-[c:32]1[cH:33][cH:34][c:35]([CH2:36][CH2:37][C:38]([CH2:39][CH2:40][c:41]2[cH:42][cH:43][c:44](-[c:45]3[cH:46][cH:47][cH:48][cH:49][c:50]3[F:51])[cH:52][cH:53]2)=[O:54])[cH:55][cH:56]1.[K:7].[Na+:58].[OH2:94].[OH:59][CH:60]([c:61]1[cH:62][cH:63][c:64](-[c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[F:71])[cH:72][cH:73]1)[CH2:74][CH3:75].[cH:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1>>[CH3:1][O:2][C:3]([CH2:4][S:5][CH:9]([CH2:10][CH3:11])[c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([F:24])[cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1)=[O:6]

Participants

13

Reactant 12

HCID 241BenzeneHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 16907Methyl ThioglycolateHCID 28123BorohydrideHCID 27411701-[4-(2-fluorophenyl)phenyl]propan-1-olHCID 27816854-(1-chloropropyl)-2'-fluoro-1,1'-biphenylHCID 5462222PotassiumHCID 53921419HCID 53921419, compound

Product 1

HCID 53654790HCID 53654790, compound

Sources & evidence

ORD record
ord-ea45de8b7ae24543bb03053c93aabd88
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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