Benzene → HCID 58828629, compound

HRID 1231164Notes

Reaction equation

HRID 1231164 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[cH:16][c:17]([CH2:24][S:25](=[O:26])(=[O:27])[c:28]3[cH:29][cH:30][cH:31][c:32]4[cH:33][cH:34][cH:35][cH:36][c:37]34)[c:18]([N+:21](=[O:22])[O-:23])[cH:19][cH:20]2)[CH2:12][CH2:13]1.[CH2:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[O:45][C:46](=[O:47])[Cl:48].[Na+:50].[OH-:49].[cH:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[N:8]1([C:46]([O:45][CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)=[O:47])[CH2:9][CH2:10][CH:11]([O:14][c:15]2[cH:16][c:17]([CH2:24][S:25](=[O:26])(=[O:27])[c:28]3[cH:29][cH:30][cH:31][c:32]4[cH:33][cH:34][cH:35][cH:36][c:37]34)[c:18]([N+:21](=[O:22])[O-:23])[cH:19][cH:20]2)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 241BenzeneHCID 923Sodium ionHCID 961HydroxideHCID 10387Benzyl chloroformateHCID 58828636HCID 58828636, compound

Product 1

HCID 58828629HCID 58828629, compound

Sources & evidence

ORD record
ord-3e3fa6d25fa24a14a8996921537ec6c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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