3-Chlorobenzoic Acid → HCID 21831680, compound

HRID 938365Notes

Reaction equation

HRID 938365 reaction equation
[CH2:73]([Cl:74])[Cl:75].[Cl:1][c:2]1[cH:3][c:4]([C:9](=[O:6])[O:10][OH:11])[cH:5][cH:7][cH:8]1.[Cl:63][c:64]1[cH:65][c:66]([C:70]([OH:71])=[O:72])[cH:67][cH:68][cH:69]1.[Na+:62].[OH-:61].[S:12]([c:13]1[cH:14][c:15]2[c:16]([n:17][n:18](-[c:20]3[c:21]([OH:34])[c:22]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:23][c:24]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:25]3)[n:19]2)[cH:35][cH:36]1)[c:37]1[cH:38][c:39]2[c:40]([n:41][n:42](-[c:44]3[c:45]([OH:58])[c:46]([C:54]([CH3:55])([CH3:56])[CH3:57])[cH:47][c:48]([C:50]([CH3:51])([CH3:52])[CH3:53])[cH:49]3)[n:43]2)[cH:59][cH:60]1>>[O:6]=[S:12]([c:13]1[cH:14][c:15]2[c:16]([n:17][n:18](-[c:20]3[c:21]([OH:34])[c:22]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:23][c:24]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:25]3)[n:19]2)[cH:35][cH:36]1)([c:37]1[cH:38][c:39]2[c:40]([n:41][n:42](-[c:44]3[c:45]([OH:58])[c:46]([C:54]([CH3:55])([CH3:56])[CH3:57])[cH:47][c:48]([C:50]([CH3:51])([CH3:52])[CH3:53])[cH:49]3)[n:43]2)[cH:59][cH:60]1)=[O:61]

Participants

7

Sources & evidence

ORD record
ord-f714035c31b74aba9d11183e78c06d5d
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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