Toluene → HCID 69456199, compound

HRID 169466Notes

Reaction equation

HRID 169466 reaction equation
[C:1](=[S:2])([O:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[O:46][CH:3]1[CH:4]([n:20]2[cH:21][cH:22][c:23]3[c:24]2[n:25][cH:26][n:27][c:28]3[NH:29][CH:30]2[CH2:31][CH2:32][c:33]3[cH:34][cH:35][cH:36][cH:37][c:38]32)[CH2:5][CH:6]2[CH:7]1[O:8][CH:9]([c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[O:10][CH2:11]2.[CH2:47]([SnH:48]([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH3:59].[CH3:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[N:60]([C:61]([CH3:62])([CH3:63])[C:64]#[N:65])=[N:66][C:67]([CH3:68])([CH3:69])[C:70]#[N:71]>>[CH2:3]1[CH:4]([n:20]2[cH:21][cH:22][c:23]3[c:24]2[n:25][cH:26][n:27][c:28]3[NH:29][CH:30]2[CH2:31][CH2:32][c:33]3[cH:34][cH:35][cH:36][cH:37][c:38]32)[CH2:5][CH:6]2[CH:7]1[O:8][CH:9]([c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[O:10][CH2:11]2

Participants

5

Reactant 4

HCID 1140TolueneHCID 5948TributylstannaneHCID 6547AzobisisobutyronitrileHCID 178489185HCID 178489185, compound

Product 1

HCID 69456199HCID 69456199, compound

Sources & evidence

ORD record
ord-990db92c85744ae5a4e1eeff4197a791
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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