Thiophenol → HCID 178525207, compound

HRID 296202Notes

Reaction equation

HRID 296202 reaction equation
[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[S:1]([O:2][CH2:6][CH:7]1[N:8]([C:32](=[O:33])[O:34][CH2:35][c:36]2[cH:37][cH:38][c:39]([N+:42](=[O:43])[O-:44])[cH:40][cH:41]2)[CH2:9][CH:10]([S:12][C:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[CH2:11]1)([CH3:3])(=[O:4])=[O:5].[SH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[CH2:6]([CH:7]1[N:8]([C:32](=[O:33])[O:34][CH2:35][c:36]2[cH:37][cH:38][c:39]([N+:42](=[O:43])[O-:44])[cH:40][cH:41]2)[CH2:9][CH:10]([S:12][C:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[CH2:11]1)[S:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1

Participants

4

Sources & evidence

ORD record
ord-cb5823bf4e824d5bb3f5f7b296043a37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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