Methanol → HCID 178440205, compound
Reaction equation
[C:2]([CH3:3])([CH3:4])([CH3:5])[O:6][C:7](=[O:8])[n:9]1[cH:10][c:11]([CH2:18][CH:19]2[NH:20][C:21](=[O:86])[CH2:22][CH:23]([CH:62]=[CH:63][CH2:64][CH2:65][S:66][C:67]([c:68]3[cH:69][cH:70][cH:71][cH:72][cH:73]3)([c:74]3[cH:75][cH:76][cH:77][cH:78][cH:79]3)[c:80]3[cH:81][cH:82][cH:83][cH:84][cH:85]3)[O:24][C:25](=[O:61])[CH2:26][CH:27]([OH:60])[CH:28]([CH:57]([CH3:58])[CH3:59])[NH:29][C:30](=[O:56])[CH:31]([CH2:35][S:36][C:37]([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[NH:32][C:33]2=[O:34])[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12.[CH3:97][OH:98].[Cl:94][CH2:95][Cl:96].[I:1].[Na+:92].[Na+:93].[S:87]([O-:88])([O-:89])(=[O:90])=[S:91]>>[C:2]([CH3:3])([CH3:4])([CH3:5])[O:6][C:7](=[O:8])[n:9]1[cH:10][c:11]([CH2:18][CH:19]2[NH:20][C:21](=[O:86])[CH2:22][CH:23]3[O:24][C:25](=[O:61])[CH2:26][CH:27]([OH:60])[CH:28]([CH:57]([CH3:58])[CH3:59])[NH:29][C:30](=[O:56])[CH:31]([NH:32][C:33]2=[O:34])[CH2:35][S:36][S:66][CH2:65][CH2:64][CH:63]=[CH:62]3)[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12Participants
7
Sources & evidence
- ORD record
- ord-78f5fdb0e8594549aa9f09f1740353aa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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