Tetrahydrofuran → methanesulfonic acid 5-{4-[3-chloro-4-(pyridine-2-ylmethoxy)-phenylamino]-5,8-dihydro-6H-9-thia-1,3,7-triaza-fluoren-7-yl}-5-oxo-pent-3-enyl ester

HRID 189967Notes

Reaction equation

[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:44][S:45]([Cl:46])(=[O:47])=[O:48].[Cl:1][c:2]1[cH:3][c:4]([NH:16][c:17]2[n:18][cH:19][n:20][c:21]3[s:22][c:23]4[c:28]([c:29]23)[CH2:27][CH2:26][N:25]([C:30]([CH:31]=[CH:32][CH2:33][CH2:34][OH:35])=[O:36])[CH2:24]4)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[n:11][cH:12][cH:13][cH:14][cH:15]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:16][c:17]2[n:18][cH:19][n:20][c:21]3[s:22][c:23]4[c:28]([c:29]23)[CH2:27][CH2:26][N:25]([C:30]([CH:31]=[CH:32][CH2:33][CH2:34][O:35][S:45]([CH3:44])(=[O:47])=[O:48])=[O:36])[CH2:24]4)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[n:11][cH:12][cH:13][cH:14][cH:15]1

Participants

Reactant 4

HCID 8028Tetrahydrofuran

HCID 8471Triethylamine

HCID 31297Methanesulfonyl chloride

HCID 668770631-[4-[3-chloro-4-(pyridin-2-ylmethoxy)-phenyl amino]-5,8-dihydro-6H-9-thia-1,3,7-triaza-fluoren-7-yl}-5-hydroxy-pent-2-en-1-one

Product 1

HCID 72332921methanesulfonic acid 5-{4-[3-chloro-4-(pyridine-2-ylmethoxy)-phenylamino]-5,8-dihydro-6H-9-thia-1,3,7-triaza-fluoren-7-yl}-5-oxo-pent-3-enyl ester

Sources & evidence

ORD record: ord-b98516c29095428c903948ffb9bf998f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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