Methanol → HCID 15949464, compound
Reaction equation
[CH3:43][OH:44].[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[CH3:50][CH2:51][CH2:52][CH2:53][CH2:54][CH3:55].[CH:39]([Cl:40])([Cl:41])[Cl:42].[NH2:1][C:2]1=[N:6][C:5]([c:7]2[cH:8][c:9]([Br:13])[cH:10][cH:11][cH:12]2)([c:14]2[cH:15][c:16]([C:20]#[N:21])[n:17]([CH3:19])[cH:18]2)[C:4](=[O:22])[N:3]1[CH3:23].[Na+:24].[Na+:25].[O-:26][C:27](=[O:28])[O-:29].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1.[n:30]1[cH:31][n:32][cH:33][c:34]([B:36]([OH:37])[OH:38])[cH:35]1>>[NH2:1][C:2]1=[N:6][C:5]([c:7]2[cH:8][c:9](-[c:34]3[cH:33][n:32][cH:31][n:30][cH:35]3)[cH:10][cH:11][cH:12]2)([c:14]2[cH:15][c:16]([C:20]#[N:21])[n:17]([CH3:19])[cH:18]2)[C:4](=[O:22])[N:3]1[CH3:23]Participants
10
Sources & evidence
- ORD record
- ord-512e2f7945fe4e96a1ca26ab8e1b3a59
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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