1,2-Dichloroethane → HCID 178497653, compound

HRID 189433Notes

Reaction equation

HRID 189433 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][c:13]2[c:14]([nH:17][c:18]([CH:20]([CH3:21])[c:22]3[n:23]([CH3:34])[c:24]4[c:25]([n:26]3)[cH:27][cH:28][c:29]([C:31](=[O:32])[OH:33])[cH:30]4)[n:19]2)[CH2:15][CH2:16]1.[CH2:68]([Cl:69])[CH2:70][Cl:71].[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[NH2:35][CH2:36][CH2:37][O:38][c:39]1[c:40]([C:41](=[O:42])[O:43][CH3:44])[cH:45][cH:46][cH:47][cH:48]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH:49][n:50]1[c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[n:57][n:58]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][c:13]2[c:14]([nH:17][c:18]([CH:20]([CH3:21])[c:22]3[n:23]([CH3:34])[c:24]4[c:25]([n:26]3)[cH:27][cH:28][c:29]([C:31](=[O:32])[NH:35][CH2:36][CH2:37][O:38][c:39]3[c:40]([C:41](=[O:42])[O:43][CH3:44])[cH:45][cH:46][cH:47][cH:48]3)[cH:30]4)[n:19]2)[CH2:15][CH2:16]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 14273287HCID 14273287, compoundHCID 178437536HCID 178437536, compound

Product 1

HCID 178497653HCID 178497653, compound

Sources & evidence

ORD record
ord-c511142a72f843d1a53eaeaca8afc67d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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