Ethanolamine → HCID 178520588, compound

HRID 1538128Notes

Reaction equation

HRID 1538128 reaction equation
[CH2:49]([O:50][C:51]([Cl:52])=[O:53])[CH3:54].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:62][CH2:63][O:64][C:65]([CH3:66])=[O:67].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7](=[S:8])[O:9][CH2:10][CH:11]2[CH:12]([CH2:30][CH:31]=[CH:32][CH2:33][CH2:34][CH2:35][C:36](=[O:37])[OH:38])[CH:13]([O:23][CH:24]3[O:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[CH2:14][CH:15]2[O:16][CH:17]2[O:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:39][cH:40][cH:41]1.[Cl:59][CH2:60][Cl:61].[NH2:55][CH2:56][CH2:57][OH:58]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7](=[S:8])[O:9][CH2:10][CH:11]2[CH:12]([CH2:30][CH:31]=[CH:32][CH2:33][CH2:34][CH2:35][C:36](=[O:37])[NH:55][CH2:56][CH2:57][OH:58])[CH:13]([O:23][CH:24]3[O:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[CH2:14][CH:15]2[O:16][CH:17]2[O:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:39][cH:40][cH:41]1

Participants

7

Reactant 6

HCID 700EthanolamineHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 10928Ethyl chloroformateHCID 178525405HCID 178525405, compound

Product 1

HCID 178520588HCID 178520588, compound

Sources & evidence

ORD record
ord-6383be4a866b472b9bc239cbc3053cf9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…