Chloride → HCID 23074286, compound

HRID 2340277Notes

Reaction equation

HRID 2340277 reaction equation
[Al+3:2].[CH2:5]([SH:6])[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13].[CH3:14][O:15][c:16]1[cH:17][cH:18][c:19]2[c:20]([cH:21][c:22]([CH2:24][CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[o:23]2)[cH:31]1.[CH3:32][O:33][c:34]1[cH:35][cH:36][c:37]2[c:48]([cH:49]1)[CH2:47][CH:39]([CH2:40][CH2:41][C:42]([O:43][CH2:44][CH3:45])=[O:46])[O:38]2.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cl-:1].[Cl-:3].[Cl-:4].[OH2:63]>>[OH:15][c:16]1[cH:17][cH:18][c:19]2[c:20]([cH:21][c:22]([CH2:24][CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[o:23]2)[cH:31]1

Participants

9

Reactant 8

HCID 312Chloride3×HCID 962WaterHCID 1140TolueneHCID 81441-OctanethiolHCID 8857Ethyl AcetateHCID 104727Aluminum CationHCID 23074266HCID 23074266, compoundHCID 23074292HCID 23074292, compound

Product 1

HCID 23074286HCID 23074286, compound

Sources & evidence

ORD record
ord-b864393f3ecc408c87d450b446af258c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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