1,1-Dichloroethane → HCID 53930714, compound

HRID 2343873Notes

Reaction equation

HRID 2343873 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][O:8][c:9]1[cH:10][c:11]([CH2:15][NH:16][CH2:17][c:18]2[cH:19][cH:20][c:21](-[n:24]3[n:25][cH:26][cH:27][cH:28]3)[cH:22][cH:23]2)[cH:12][cH:13][cH:14]1)=[O:29].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[Cl:46][CH:47]([Cl:48])[CH3:49].[s:37]1[c:38]([S:42](=[O:43])(=[O:44])[Cl:45])[cH:39][cH:40][cH:41]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][O:8][c:9]1[cH:10][c:11]([CH2:15][N:16]([CH2:17][c:18]2[cH:19][cH:20][c:21](-[n:24]3[n:25][cH:26][cH:27][cH:28]3)[cH:22][cH:23]2)[S:42]([c:38]2[s:37][cH:41][cH:40][cH:39]2)(=[O:43])=[O:44])[cH:12][cH:13][cH:14]1)=[O:29]

Participants

5

Reactant 4

HCID 63651,1-DichloroethaneHCID 8471TriethylamineHCID 855182-Thiophenesulfonyl chlorideHCID 54338479{3-[(4-Pyrazol-1-yl-benzylamino)-methyl]-phenoxy}-acetic acid tert-butyl ester

Product 1

HCID 53930714HCID 53930714, compound

Sources & evidence

ORD record
ord-3d5852ae976c4116a8e34de92cb4da32
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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