Toluene → HCID 178468398, compound

HRID 1205056Notes

Reaction equation

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

Participants

Reactant 3

HCID 1140Toluene

HCID 178425459HCID 178425459, compound

HCID 178459102HCID 178459102, compound

Product 1

HCID 178468398HCID 178468398, compound

Sources & evidence

ORD record: ord-8a7e9d6c8cca41a8bed744f74bf0b3bd
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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