1,2-Dichloroethane → HCID 178522664, compound

HRID 1148453Notes

Reaction equation

HRID 1148453 reaction equation
[CH2:72]([Cl:73])[CH2:74][Cl:75].[CH3:64][S:65]([CH3:66])=[O:67].[CH3:68][C:69]#[N:70].[CH:1]1([c:7]2[c:8]([CH2:23][c:24]3[cH:25][cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]3)[cH:9][n:10][n:11]2-[c:12]2[cH:13][cH:14][c:15]([O:18][C:19]([F:20])([F:21])[F:22])[cH:16][cH:17]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[NH2:44][c:45]1[n:46][n:47][n:48][nH:49]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:43].[OH2:71].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1>>[CH:1]1([c:7]2[c:8]([CH2:23][c:24]3[cH:25][cH:26][c:27]([C:28](=[O:30])[NH:44][c:45]4[n:46][n:47][n:48][nH:49]4)[cH:31][cH:32]3)[cH:9][n:10][n:11]2-[c:12]2[cH:13][cH:14][c:15]([O:18][C:19]([F:20])([F:21])[F:22])[cH:16][cH:17]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

10

Reactant 9

HCID 111,2-DichloroethaneHCID 679Dimethyl SulfoxideHCID 962Water2×HCID 6228DimethylformamideHCID 6342AcetonitrileHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 67334871HCID 67334871, compoundHCID 178509299HCID 178509299, compound

Product 1

HCID 178522664HCID 178522664, compound

Sources & evidence

ORD record
ord-f06c1c2bb5874fd19b6255342f04de6c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…