Toluene → HCID 86622680, compound

HRID 140686Notes

Reaction equation

HRID 140686 reaction equation
[CH3:21][O:22][c:23]1[cH:24][cH:25][c:26]([P:27]2(=[S:30])[S:28][P:29]([c:31]3[cH:32][cH:33][c:34]([O:35][CH3:36])[cH:37][cH:38]3)(=[S:39])[S:40]2)[cH:41][cH:42]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]([C:18](=[O:19])[NH2:20])[cH:8][n:9]([CH2:11][CH:12]3[CH2:13][CH2:14][O:15][CH2:16][CH2:17]3)[c:10]12.[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]([C:18]([NH2:20])=[S:30])[cH:8][n:9]([CH2:11][CH:12]3[CH2:13][CH2:14][O:15][CH2:16][CH2:17]3)[c:10]12

Participants

5

Sources & evidence

ORD record
ord-b8b18a93da944d6eb4a33cd2dcdccebd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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