1,2-Dichloroethane → HCID 66888570, compound

HRID 2151759Notes

Reaction equation

HRID 2151759 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[cH:14][cH:15][cH:16][cH:17][c:18]2[CH2:19][C:20]1([C:21](=[O:22])[OH:23])[CH3:24].[CH2:25]([Cl:26])[CH2:27][Cl:28].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[ClH:29].[NH2:47][c:48]1[c:49]([C:50](=[O:51])[NH2:52])[cH:53][cH:54][cH:55][c:56]1[NH2:57].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH2:63].[OH:30][n:31]1[c:32]2[n:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]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[cH:14][cH:15][cH:16][cH:17][c:18]2[CH2:19][C:20]1([C:21](=[O:22])[NH:57][c:56]1[c:48]([NH2:47])[c:49]([C:50](=[O:51])[NH2:52])[cH:53][cH:54][cH:55]1)[CH3:24]

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 181649HOAtHCID 104870292,3-DiaminobenzamideHCID 66889007HCID 66889007, compound

Product 1

HCID 66888570HCID 66888570, compound

Sources & evidence

ORD record
ord-efc7e896f172497798b3502645d1a21c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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