1,2-Dichloroethane → HCID 178498496, compound

HRID 2327532Notes

Reaction equation

HRID 2327532 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([OH:13])[cH:11][cH:12]1)[C:14](=[O:15])[NH:16][CH:17]([CH:18]([CH3:19])[CH3:20])[C:21](=[O:22])[OH:23].[CH2:59]([Cl:60])[CH2:61][Cl:62].[CH3:24][O:25][C:26]([CH:27]1[NH:28][CH2:29][CH:30]([O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:31]1)=[O:39].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:74][CH2:75][Cl: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>>[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([OH:13])[cH:11][cH:12]1)[C:14](=[O:15])[NH:16][CH:17]([CH:18]([CH3:19])[CH3:20])[C:21](=[O:23])[N:28]1[CH:27]([C:26]([O:25][CH3:24])=[O:39])[CH2:31][CH:30]([O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:29]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 18468972Methyl 4-phenoxypyrrolidine-2-carboxylateHCID 1784746872-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoic acid

Product 1

HCID 178498496HCID 178498496, compound

Sources & evidence

ORD record
ord-6642586754504e6e9fc822641eb91d3c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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