Toluene → HCID 178427437, compound

HRID 316235Notes

Reaction equation

HRID 316235 reaction equation
[CH3:35][CH:36]([CH2:37][AlH:38][CH2:39][CH:40]([CH3:41])[CH3:42])[CH3:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[n:6][n:7][n:8]([CH:10]2[c:11]3[cH:12][cH:13][c:14]([C:20](=[O:21])[OH:22])[cH:15][c:16]3[CH2:17][CH2:18][CH2:19]2)[cH:9]1)[NH:23][S:24](=[O:25])(=[O:26])[c:27]1[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]1)=[O:34]>>[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[n:6][n:7][n:8]([CH:10]2[c:11]3[cH:12][cH:13][c:14]([CH2:20][OH:21])[cH:15][c:16]3[CH2:17][CH2:18][CH2:19]2)[cH:9]1)[NH:23][S:24](=[O:25])(=[O:26])[c:27]1[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]1)=[O:34]

Participants

4

Sources & evidence

ORD record
ord-d8e5d66d3d644a6ba9e4d398beb67cc5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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