1,2-Dichloroethane → HCID 11706659, compound

HRID 2147050Notes

Reaction equation

HRID 2147050 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[c:14]([CH2:15][NH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[cH:23][cH:24][cH:25][cH:26]2)[cH:9][cH:10]1.[CH2:43]([Cl:44])[CH2:45][Cl:46].[CH3:27][C:28]1([CH3:42])[O:29][C:30](=[O:41])[c:31]2[c:32]([cH:34][cH:35][c:36]([C:38](=[O:39])[OH:40])[cH:37]2)[O:33]1.[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[Cl:67][CH2:68][Cl:69].[ClH:47].[OH:57][n:58]1[c:59]2[c:60]([cH:61][cH:62][cH:63][cH:64]2)[n:65][n:66]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[c:14]([CH2:15][N:16]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[C:38]([c:36]3[cH:35][cH:34][c:32]4[c:31]([cH:37]3)[C:30](=[O:41])[O:29][C:28]([CH3:27])([CH3:42])[O:33]4)=[O:40])[cH:23][cH:24][cH:25][cH:26]2)[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 57554480N-{2-[(4-butylphenyl)ethynyl]benzyl}-1-hexanamineHCID 575544892,2-dimethyl-4-oxo-4H-1,3-benzodioxine-6-carboxylic acid

Product 1

HCID 11706659HCID 11706659, compound

Sources & evidence

ORD record
ord-4e564d9ede274a248d9a8d700324e2e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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