1,2-Dichloroethane → HCID 11848594, compound

HRID 1218339Notes

Reaction equation

HRID 1218339 reaction equation
[Br:8][c:9]1[cH:10][c:11]([CH2:21][C:22](=[O:23])[OH:24])[c:12](=[O:20])[n:13]([CH2:15][C:16]([F:17])([F:18])[F:19])[cH:14]1.[C:57](=[O:58])([OH:59])[O-:60].[CH2:43]([Cl:44])[CH2:45][Cl:46].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[ClH:25].[ClH:26].[Na+:61].[O:27]=[c:28]1[n:29]([CH:37]2[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]2)[c:30]2[c:31]([n:32][cH:33][cH:34][cH:35]2)[nH:36]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH:47][n:48]1[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[Br:8][c:9]1[cH:10][c:11]([CH2:21][C:22](=[O:24])[N:40]2[CH2:39][CH2:38][CH:37]([n:29]3[c:28](=[O:27])[nH:36][c:31]4[c:30]3[cH:35][cH:34][cH:33][n:32]4)[CH2:42][CH2:41]2)[c:12](=[O:20])[n:13]([CH2:15][C:16]([F:17])([F:18])[F:19])[cH:14]1

Participants

10

Reactant 9

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8471TriethylamineHCID 181649HOAtHCID 22293182Bms-973013HCID 67343425HCID 67343425, compound

Product 1

HCID 11848594HCID 11848594, compound

Sources & evidence

ORD record
ord-08f8b70034254c03b4316db9f1ba536f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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