Diethanolamine → 2-[{3-[3-(4-Chloro-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-ynyl}-(2-hydroxy-ethyl)-amino]-ethanol

HRID 145697Notes

Reaction equation

HRID 145697 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][s:10][c:11]3[c:12]2[cH:13][cH:14][c:15]([C:17]#[C:18][CH2:19][O:20][S:21]([CH3:22])(=[O:23])=[O:24])[cH:16]3)[cH:6][cH:7]1.[OH:25][CH2:26][CH2:27][NH:28][CH2:29][CH2:30][OH:31]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][s:10][c:11]3[c:12]2[cH:13][cH:14][c:15]([C:17]#[C:18][CH2:19][N:28]([CH2:27][CH2:26][OH:25])[CH2:29][CH2:30][OH:31])[cH:16]3)[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 8113DiethanolamineHCID 57428081Methanesulfonic acid 3-[3-(4-chloro-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-ynyl ester

Product 1

HCID 223140672-[{3-[3-(4-Chloro-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-ynyl}-(2-hydroxy-ethyl)-amino]-ethanol

Sources & evidence

ORD record
ord-716cb28917ca4a739b82af0990c64f89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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