2-Butenedioic acid → 2-Butenedioic acid

HRID 285934Notes

Reaction equation

HRID 285934 reaction equation
[C:1]([CH:2]=[CH:3][C:4](=[O:5])[OH:6])(=[O:7])[OH:8].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:32][c:33]1[c:34]([CH2:38][S:39][CH2:40][CH2:41][NH2:42])[n:35][cH:36][nH:37]1.[CH3:43][OH:44].[NH:9]([C:10](=[NH:11])[NH2:12])[c:13]1[s:14][cH:15][c:16]([CH2:18][S:19][CH2:20][CH2:21][N:22]=[C:23]=[S:24])[n:17]1.[OH2:45]>>[C:1]([CH:2]=[CH:3][C:4](=[O:5])[OH:6])(=[O:7])[OH:8].[NH:9]([C:10](=[NH:11])[NH2:12])[c:13]1[s:14][cH:15][c:16]([CH2:18][S:19][CH2:20][CH2:21][NH:22][C:23](=[S:24])[NH:42][CH2:41][CH2:40][S:39][CH2:38][c:34]2[c:33]([CH3:32])[nH:37][cH:36][n:35]2)[n:17]1

Participants

8

Reactant 6

HCID 7232-Butenedioic acidHCID 887MethanolHCID 962WaterHCID 8471TriethylamineHCID 6655684-(((2-Aminoethyl)thio)methyl)-5-methylimidazoleHCID 178512724HCID 178512724, compound

Product 2

HCID 7232-Butenedioic acidHCID 178433690HCID 178433690, compound

Sources & evidence

ORD record
ord-2e239c328cdc48daa27b4fca293c1a73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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