1,2-Dichloroethane → HCID 66855297, compound

HRID 206520Notes

Reaction equation

HRID 206520 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:14]([CH:15]([CH2:16][CH2:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[NH:25][C:26](=[O:27])[c:28]2[n:29][n:30](-[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:31]([O:33][CH2:34][C:35](=[O:36])[OH:37])[cH:32]2)=[O:44])[CH2:12][CH2:13]1.[CH2:65]([c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[O:72][C:73]([CH:74]1[NH:75][CH2:76][CH2:77][CH2:78]1)=[O:79].[CH2:85]([Cl:86])[CH2:87][Cl:88].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[ClH:64].[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[OH:45][n:46]1[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[n:53][n:54]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:14]([CH:15]([CH2:16][CH2:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[NH:25][C:26](=[O:27])[c:28]2[n:29][n:30](-[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:31]([O:33][CH2:34][C:35](=[O:36])[N:75]3[CH:74]([C:73]([O:72][CH2:65][c:66]4[cH:67][cH:68][cH:69][cH:70][cH:71]4)=[O:79])[CH2:78][CH2:77][CH2:76]3)[cH:32]2)=[O:44])[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 99767Proline benzyl esterHCID 668549342-[3-[[1-(4-Butoxycarbonylpiperazin-1-yl)-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoyl]-1-phenylpyrazol-5-yl]oxyacetic acid

Product 1

HCID 66855297HCID 66855297, compound

Sources & evidence

ORD record
ord-7d93388b442747be9fc312578901cd1e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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