Ethanolamine → Sad-448

HRID 2151328Notes

Reaction equation

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH3:31])[c:8]2[c:9](=[O:30])[n:10](-[c:19]3[c:20]([S:25]([NH:26][CH3:27])(=[O:28])=[O:29])[cH:21][cH:22][cH:23][cH:24]3)[c:11]([CH2:17][OH:18])[n:12][c:13]2[cH:14][c:15]1[CH3:16].[Cl:32][C:33](=[O:34])[O:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[NH2:42][CH2:43][CH2:44][OH:45].[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH3:31])[c:8]2[c:9](=[O:30])[n:10](-[c:19]3[c:20]([S:25]([NH:26][CH3:27])(=[O:28])=[O:29])[cH:21][cH:22][cH:23][cH:24]3)[c:11]([CH2:17][O:18][C:33](=[O:34])[NH:42][CH2:43][CH2:44][OH:45])[n:12][c:13]2[cH:14][c:15]1[CH3:16]

Participants

Reactant 4

HCID 700Ethanolamine

HCID 1049Pyridine

HCID 15891Phenyl chloroformate

HCID 114763142-Hydroxymethyl-5,7-dimethyl-3-(2-methylsulfamoyl-phenyl)-4-oxo-3,4-dihydro-quinazoline-6-carboxylic acid ethyl ester

Product 1

HCID 9828471Sad-448

Sources & evidence

ORD record: ord-fa965e0e069346e4a0363c89985805ff
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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