Toluene → HCID 178490711, compound

HRID 2144314Notes

Reaction equation

HRID 2144314 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:22][CH:23]2[O:24][CH2:25][CH2:26][CH2:27]2)[c:8](=[N:10][C:11]([c:12]2[c:13]([O:19][CH3:20])[cH:14][cH:15][c:16]([Cl:18])[cH:17]2)=[O:21])[s:9]1.[CH3:28][O:29][c:30]1[cH:31][cH:32][c:33]([P:34]2(=[S:35])[S:36][P:38](=[S:39])([c:40]3[cH:41][cH:42][c:43]([O:44][CH3:45])[cH:46][cH:47]3)[S:37]2)[cH:48][cH:49]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:22][CH:23]2[O:24][CH2:25][CH2:26][CH2:27]2)[c:8](=[N:10][C:11]([c:12]2[c:13]([O:19][CH3:20])[cH:14][cH:15][c:16]([Cl:18])[cH:17]2)=[S:37])[s:9]1

Participants

4

Sources & evidence

ORD record
ord-bbefb402717a482789f7fa3e1d5b4677
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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