1,2-Dichloroethane → HCID 68487525, compound
Reaction equation
[CH2:32]([Sn:33]([CH2:34][CH2:35][CH2:36][CH3:37])([CH2:38][CH2:39][CH2:40][CH3:41])[C:45]#[N:46])[CH2:42][CH2:43][CH3:44].[Cl:47][CH2:48][CH2:49][Cl:50].[O:1]1[CH:2]([CH2:11][N:12]2[CH2:13][CH:14]([c:18]3[cH:19][c:20]([O:24][S:25]([C:26]([F:27])([F:28])[F:29])(=[O:30])=[O:31])[cH:21][cH:22][cH:23]3)[CH2:15][CH2:16][CH2:17]2)[CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2.[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[O:1]1[CH:2]([CH2:11][N:12]2[CH2:13][CH:14]([c:18]3[cH:19][c:20]([C:45]#[N:46])[cH:21][cH:22][cH:23]3)[CH2:15][CH2:16][CH2:17]2)[CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2Participants
5
Sources & evidence
- ORD record
- ord-3c4d7a2d33994011a46d711813221888
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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