1,2-Dichloroethane → HCID 178471080, compound
Reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[CH3:57][C:58](=[O:59])[OH:60].[Cl:66][CH2:67][CH2:68][Cl:69].[NH2:15][CH2:16][CH:17]1[CH:18]([OH:44])[CH:19]([OH:43])[CH:20]([n:22]2[cH:23][cH:24][c:25]3[c:26]2[n:27][cH:28][n:29][c:30]3[NH:31][CH2:32][c:33]2[c:34]([O:41][CH3:42])[cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]2)[CH2:21]1.[Na+:14].[Na+:65].[O-:61][C:62]([OH:63])=[O:64].[O:45]=[C:46]1[CH2:47][CH:48]([CH2:50][CH2:51][C:52](=[O:53])[O:54][CH2:55][CH3:56])[CH2:49]1>>[NH:15]([CH2:16][CH:17]1[CH:18]([OH:44])[CH:19]([OH:43])[CH:20]([n:22]2[cH:23][cH:24][c:25]3[c:26]2[n:27][cH:28][n:29][c:30]3[NH:31][CH2:32][c:33]2[c:34]([O:41][CH3:42])[cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]2)[CH2:21]1)[CH:46]1[CH2:47][CH:48]([CH2:50][CH2:51][C:52](=[O:53])[O:54][CH2:55][CH3:56])[CH2:49]1Participants
8
Sources & evidence
- ORD record
- ord-9e954b64c5f24f6ba6ac04a69df6d928
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…