1,2-Dichloroethane → [1-(Acetylaminomethyl)-3-cyano-2-oxo-3-(triphenyl-lambda5-phosphanylidene) propyl]carbamic acid benzyl ester

HRID 109910

Reaction equation

HRID 109910 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][CH2:5][CH:6]([C:7](=[O:8])[OH:9])[NH:10][C:11](=[O:12])[O:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[C:25](#[N:26])[CH:27]=[P:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH2:21]([Cl:22])[CH2:23][Cl:24].[CH3:50][N:51]([c:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1)[CH3:58].[Cl:47][CH2:48][Cl:49]>>[C:1]([CH3:2])(=[O:3])[NH:4][CH2:5][CH:6]([C:7](=[O:9])[C:27]([C:25]#[N:26])=[P:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[NH:10][C:11](=[O:12])[O:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 85524(Triphenylphosphoranylidene)acetonitrileHCID 186216323-Acetylamino-2-benzyloxycarbonylaminopropionic acid

Product 1

HCID 86758881[1-(Acetylaminomethyl)-3-cyano-2-oxo-3-(triphenyl-lambda5-phosphanylidene) propyl]carbamic acid benzyl ester

Sources & evidence

ORD record
ord-2e13ebfab1de471db8c9bc966f34a8a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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