Water → HCID 178498048, compound

HRID 189772Notes

Reaction equation

HRID 189772 reaction equation
[CH3:41][N:42]1[CH2:43][CH2:44][CH2:45][C:46]1=[O:47].[Cl:1][c:2]1[c:3]([O:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]2)[cH:4][c:5]([OH:12])[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1.[N+:23]([c:24]1[cH:25][c:26]([S:27]([O:28][CH2:36][CH:37]2[O:38][CH2:39]2)(=[O:29])=[O:30])[cH:31][cH:32][cH:33]1)([O-:34])=[O:35].[OH2:40]>>[Cl:1][c:2]1[c:3]([O:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]2)[cH:4][c:5]([O:12][CH2:36][CH:37]2[O:38][CH2:39]2)[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1

Participants

5

Reactant 4

HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 286836(Oxiran-2-yl)methyl 3-nitrobenzene-1-sulfonateHCID 57428728HCID 57428728, compound

Product 1

HCID 178498048HCID 178498048, compound

Sources & evidence

ORD record
ord-6541431b95014ba185309ee69af86c3c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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