Chloride → HCID 520748, compound

HRID 2350203Notes

Reaction equation

HRID 2350203 reaction equation
[Al+3:21].[C:11]([Cl:12])(=[O:13])[c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH2:38]([OH:39])[C:40]#[CH:41].[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([O:8][CH3:9])[cH:10]1.[CH3:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[Cl-:20].[Cl-:22].[Cl-:23].[O:24]=[C:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[OH:42][c:43]1[cH:44][c:45]2[c:46]([cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52]1.[S:83]=[C:84]=[S:85].[c:53]1([C:59]2([c:73]3[c:74]([O:81][CH3:82])[cH:75][c:76]([O:79][CH3:80])[cH:77][cH:78]3)[O:64][c:60]3[cH:61][cH:62][c:63]4[c:65]([c:66]3[CH:67]=[CH:68]2)[cH:69][cH:70][cH:71][cH:72]4)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[c:53]1([C:59](=[O:64])[c:73]2[c:74]([O:81][CH3:82])[cH:75][c:76]([O:79][CH3:80])[cH:77][cH:78]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1

Participants

11

Reactant 10

HCID 312Chloride3×HCID 1140TolueneHCID 3102BenzophenoneHCID 6348Carbon DisulfideHCID 7412Benzoyl chlorideHCID 7859Propargyl alcoholHCID 86632-NaphtholHCID 90251,3-DimethoxybenzeneHCID 104727Aluminum CationHCID 21466763HCID 21466763, compound

Product 1

HCID 520748HCID 520748, compound

Sources & evidence

ORD record
ord-aea9c1db412b4c1a8a703e6ad1fdf7b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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