Benzoic Acid → HCID 178518103, compound

HRID 101549Notes

Reaction equation

HRID 101549 reaction equation
[CH2:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[OH:26][C:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)=[O:34].[n:14]1[cH:15][cH:16][cH:17][c:18]2[n:19][c:20]([CH:24]=[O:25])[cH:21][cH:22][c:23]12.[s:1]1[c:2]([CH2:6][NH:7][C:8]2=[N:12][C:11](=[O:13])[CH2:10][S:9]2)[cH:3][cH:4][cH:5]1>>[s:1]1[c:2]([CH2:6][NH:7][C:8]2=[N:12][C:11](=[O:13])[C:10](=[CH:24][c:20]3[n:19][c:18]4[cH:17][cH:16][cH:15][n:14][c:23]4[cH:22][cH:21]3)[S:9]2)[cH:3][cH:4][cH:5]1

Participants

6

Sources & evidence

ORD record
ord-30327971e6a3427fa4bf08e3400b2808
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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