Toluene → HCID 23536894, compound

HRID 90405Notes

Reaction equation

HRID 90405 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH:21]([O:22][C:23]([S:24][CH3:25])=[S:26])[c:27]2[c:28](-[n:33]3[cH:34][n:35][c:36]4[n:37]([CH3:45])[c:38](=[O:44])[n:39]([CH3:43])[c:40](=[O:42])[c:41]34)[cH:29][cH:30][cH:31][cH:32]2)[CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]1.[CH2:46]([SnH:47]([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH3:58].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[N:59]([C:60]([CH3:61])([CH3:62])[C:63]#[N:64])=[N:65][C:66]([CH3:67])([CH3:68])[C:69]#[N:70]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:21][c:27]2[c:28](-[n:33]3[cH:34][n:35][c:36]4[n:37]([CH3:45])[c:38](=[O:44])[n:39]([CH3:43])[c:40](=[O:42])[c:41]34)[cH:29][cH:30][cH:31][cH:32]2)[CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]1

Participants

5

Sources & evidence

ORD record
ord-cb66ec61607b485e899bfd218aaa19bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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