1,2-Dichloroethane → HCID 178522407, compound

HRID 2130558Notes

Reaction equation

HRID 2130558 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][S:8][CH:9]2[CH2:10][CH:11]([C:27](=[O:28])[N:29]3[CH2:30][CH:31]([NH:33][C:34](=[O:35])[O:36][CH2:37][c:38]4[cH:39][cH:40][c:41]([N+:44](=[O:45])[O-:46])[cH:42][cH:43]4)[CH2:32]3)[N:12]([C:14](=[O:15])[O:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]3)[CH2:13]2)[cH:47][cH:48]1.[CH3:68][O:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[Cl:64][CH2:65][CH2:66][Cl:67].[OH:49][C:50]([C:51]([F:52])([F:53])[F:54])=[O:55].[OH:56][S:57]([C:58]([F:59])([F:60])[F:61])(=[O:62])=[O:63]>>[SH:8][CH:9]1[CH2:10][CH:11]([C:27](=[O:28])[N:29]2[CH2:30][CH:31]([NH:33][C:34](=[O:35])[O:36][CH2:37][c:38]3[cH:39][cH:40][c:41]([N+:44](=[O:45])[O-:46])[cH:42][cH:43]3)[CH2:32]2)[N:12]([C:14](=[O:15])[O:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]2)[CH2:13]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 62406Trifluoromethanesulfonic acidHCID 19704808HCID 19704808, compound

Product 1

HCID 178522407HCID 178522407, compound

Sources & evidence

ORD record
ord-184fc6a7bc684f80b88c6f17dc423032
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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