Acetic Acid → HCID 18545645, compound
Reaction equation
[CH2:1]([O:2][C:3](=[O:4])[N:7]1[CH2:8][CH2:9][N:10]([c:13]2[n:14][cH:15][c:16](-[c:19]3[n:20][c:21]([NH:25][c:26]4[cH:27][c:28]([Cl:34])[c:29]([Cl:33])[c:30]([Cl:32])[cH:31]4)[n:22][cH:23][cH:24]3)[cH:17][cH:18]2)[CH2:11][CH2:12]1)[CH:5]=[CH2:6].[CH2:39]([SnH:40]([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH3:51].[CH3:35][C:36](=[O:37])[OH:38].[Cl:57][CH2:58][Cl:59].[Na+:56].[O-:52][C:53]([OH:54])=[O:55].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[Pd:65]([Cl:66])[Cl:67].[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1.[c:87]1([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[cH:101][cH:102][cH:103][cH:104][cH:105]1>>[NH:7]1[CH2:8][CH2:9][N:10]([c:13]2[n:14][cH:15][c:16](-[c:19]3[n:20][c:21]([NH:25][c:26]4[cH:27][c:28]([Cl:34])[c:29]([Cl:33])[c:30]([Cl:32])[cH:31]4)[n:22][cH:23][cH:24]3)[cH:17][cH:18]2)[CH2:11][CH2:12]1Participants
10
Sources & evidence
- ORD record
- ord-6e7dfbbb43244b669e553ef00e2b8e4d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…