1,2-Dichloroethane → HCID 59505137, compound

HRID 209790Notes

Reaction equation

HRID 209790 reaction equation
[CH2:55]([Cl:56])[CH2:57][Cl:58].[CH3:33][c:34]1[n:35][c:36]([C:41]2([NH2:44])[CH2:42][CH2:43]2)[n:37][c:38]([CH3:40])[cH:39]1.[CH:60]([N:61]([CH:62]([CH3:63])[CH3:64])[CH2:65][CH3:66])([CH3:67])[CH3:68].[Cl:69][CH2:70][Cl:71].[ClH:59].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[c:22]([CH3:32])[cH:23][c:24]([O:30][CH3:31])[c:25]([C:26](=[O:27])[OH:28])[cH:29]2)[cH:19][cH:20]3)[cH:6][cH:7]1.[OH:45][n:46]1[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[n:53][n:54]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[c:22]([CH3:32])[cH:23][c:24]([O:30][CH3:31])[c:25]([C:26](=[O:27])[NH:44][C:41]4([c:36]5[n:35][c:34]([CH3:33])[cH:39][c:38]([CH3:40])[n:37]5)[CH2:42][CH2:43]4)[cH:29]2)[cH:19][cH:20]3)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 552956881-(4,6-Dimethyl-2-pyrimidinyl)cyclopropanamineHCID 592756045-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl)-2-methoxy-4-methylbenzoic acid

Product 1

HCID 59505137HCID 59505137, compound

Sources & evidence

ORD record
ord-eb8a9e0d67d343bdab9f4c3ba86382e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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