Toluene → HCID 77259989, compound

HRID 1554120Notes

Reaction equation

[CH2:70]([SnH:71]([CH2:72][CH2:73][CH2:74][CH3:75])[CH2:76][CH2:77][CH2:78][CH3:79])[CH2:80][CH2:81][CH3:82].[CH3:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[Cl:1][CH:2]([c:3]1[n:4][n:5][c:6]([O:9][CH2:10][CH3:11])[cH:7][cH:8]1)[c:12]1[c:13]([Cl:57])[cH:14][cH:15][c:16]([CH:18]2[O:19][CH:20]([CH2:48][O:49][CH2:50][c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[CH:21]([O:40][CH2:41][c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[CH:22]([O:32][CH2:33][c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[CH:23]2[O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:17]1.[N:58]#[C:59][C:60]([N:61]=[N:62][C:63]([C:64]#[N:65])([CH3:66])[CH3:67])([CH3:68])[CH3:69]>>[CH2:2]([c:3]1[n:4][n:5][c:6]([O:9][CH2:10][CH3:11])[cH:7][cH:8]1)[c:12]1[c:13]([Cl:57])[cH:14][cH:15][c:16]([CH:18]2[O:19][CH:20]([CH2:48][O:49][CH2:50][c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[CH:21]([O:40][CH2:41][c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[CH:22]([O:32][CH2:33][c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[CH:23]2[O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:17]1

Participants

Reactant 4

HCID 1140Toluene

HCID 5948Tributylstannane

HCID 6547Azobisisobutyronitrile

HCID 77260033HCID 77260033, compound

Product 1

HCID 77259989HCID 77259989, compound

Sources & evidence

ORD record: ord-937f85d70295419ca63b1a332771a8ce
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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