1,2-Dichloroethane → HCID 19599401, compound

HRID 699127Notes

Reaction equation

HRID 699127 reaction equation
[BrH:1].[BrH:35].[C:23]([CH:24]([CH:25]([C:26]([O-:27])=[O:28])[OH:29])[OH:30])([O-:31])=[O:32].[C:45]([OH:46])(=[O:47])[CH3:48].[CH2:49]([Cl:50])[CH2:51][Cl:52].[CH3:77][C:78]#[N:79].[CH:63]([N:64]([CH:65]([CH3:66])[CH3:67])[CH2:68][CH3:69])([CH3:70])[CH3:71].[Ce+3:21].[K+:33].[K+:34].[NH2:2][CH:3]1[C:4](=[O:20])[NH:5][c:6]2[c:7]([cH:16][cH:17][cH:18][cH:19]2)[C:8]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)=[N:9]1.[NH4+:22].[NH:36]1[CH:37]([C:42](=[O:43])[OH:44])[CH2:38][CH2:39][C:40]1=[O:41].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH:53][n:54]1[c:55]2[c:56]([cH:57][cH:58][cH:59][cH:60]2)[n:61][n:62]1>>[NH:2]([CH:3]1[C:4](=[O:20])[NH:5][c:6]2[c:7]([cH:16][cH:17][cH:18][cH:19]2)[C:8]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)=[N:9]1)[C:42]([CH:37]1[NH:36][C:40](=[O:41])[CH2:39][CH2:38]1)=[O:43]

Participants

14

Reactant 13

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 223AmmoniumHCID 260Hydrogen Bromide2×HCID 499Pyrrolidone carboxylic acidHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6342AcetonitrileHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 114853Cerium(3+)HCID 38061142,3-DihydroxybutanedioateHCID 42596493-Amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

Product 1

HCID 19599401HCID 19599401, compound

Sources & evidence

ORD record
ord-0fabf0cd41f4489cbd1ddecf02bc7206
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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