1,2-Dichloroethane → HCID 178494922, compound

HRID 300070

Reaction equation

HRID 300070 reaction equation
[C:75](=[O:76])([O-:77])[OH:78].[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][c:7]1[c:8]([C:18](=[O:19])[OH:20])[n:9][n:10][n:11]1-[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[CH3:21][CH:22]([CH2:23][NH:24][CH:25]1[CH2:26][N:27]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:28][CH:29]([C:31](=[O:32])[N:33]2[CH2:34][CH2:35][O:36][CH2:37][CH2:38]2)[CH2:30]1)[CH3:46].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[Cl:63][C:64]([N:65]([CH3:66])[CH3:67])=[N+:68]([CH3:69])[CH3:70].[Cl:71][CH2:72][CH2:73][Cl:74].[Na+:79].[P-:56]([F:57])([F:58])([F:59])([F:60])([F:61])[F:62]>>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][c:7]1[c:8]([C:18](=[O:20])[N:24]([CH2:23][CH:22]([CH3:21])[CH3:46])[CH:25]2[CH2:26][N:27]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:28][CH:29]([C:31](=[O:32])[N:33]3[CH2:34][CH2:35][O:36][CH2:37][CH2:38]3)[CH2:30]2)[n:9][n:10][n:11]1-[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4455752Chloro(dimethylamino)-N,N-dimethylmethaniminiumHCID 593566515-(4-methoxybutyl)-1-phenyl-1H-1,2,3-triazole-4-carboxylic acidHCID 178448811HCID 178448811, compound

Product 1

HCID 178494922HCID 178494922, compound

Sources & evidence

ORD record
ord-1438a2a578c64e5fabe869728d23735b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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