1,2-Dichloroethane → HCID 44224244, compound

HRID 186964Notes

Reaction equation

HRID 186964 reaction equation
[CH3:22][N:23]([C:24]1([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:25][CH2:26][C:27](=[O:30])[CH2:28][CH2:29]1)[CH3:37].[CH3:38][C:39](=[O:40])[OH:41].[Cl:54][CH2:55][CH2:56][Cl:57].[ClH:1].[NH2:2][CH:3]([CH2:4][c:5]1[cH:6][nH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12)[C:14]([NH2:15])=[O:16].[Na+:21].[Na+:42].[Na+:43].[O-:17][C:18]([OH:19])=[O:20].[O-:44][S:45]([O-:46])(=[O:47])=[O:48].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[NH:2]([CH:3]([CH2:4][c:5]1[cH:6][nH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12)[C:14]([NH2:15])=[O:16])[CH:27]1[CH2:26][CH2:25][C:24]([N:23]([CH3:22])[CH3:37])([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:29][CH2:28]1

Participants

10

Reactant 9

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1117Sulfate IonHCID 8028TetrahydrofuranHCID 893662-amino-3-(1H-indol-3-yl)propanamideHCID 114244924-(Dimethylamino)-4-phenylcyclohexan-1-one

Product 1

HCID 44224244HCID 44224244, compound

Sources & evidence

ORD record
ord-4eff685159fa456b91b78ca8fdc8ba55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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