1,2-Dichloroethane → HCID 13093871, compound

HRID 1575575Notes

Reaction equation

HRID 1575575 reaction equation
[C:32](=[O:33])([OH:34])[O-:35].[C:66]([Cl:67])([Cl:68])([Cl:69])[Cl:70].[CH2:26]1[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1.[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH:20](=[O:21])[O:22][C:23](=[O:24])[CH3:25].[CH:62]([Cl:63])([Cl:64])[Cl:65].[Cl:58][CH2:59][CH2:60][Cl:61].[Na+:36].[c:1]1([CH:7]([CH:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:44]1([CH3:45])[c:46]([CH3:47])[cH:48][cH:49][cH:50][cH:51]1.[cH:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[c:1]1([CH:7]([CH:8]2[CH2:9][CH2:10][N:11]([CH:20]=[O:21])[CH2:12][CH2:13]2)[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

12

Reactant 11

HCID 111,2-DichloroethaneHCID 241BenzeneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 1140TolueneHCID 5943Carbon TetrachlorideHCID 6212ChloroformHCID 7237O-XyleneHCID 8082PiperidineHCID 75269Acetic-formic anhydrideHCID 882784-Benzhydrylpiperidine

Product 1

HCID 13093871HCID 13093871, compound

Sources & evidence

ORD record
ord-60021b58e238496b85fe9e1a41fbfde3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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