Hydrochloric Acid → 4-(6-Chloro-benzo[b]naphtho[2,3-d]thiophen-11-yl)-phenol

HRID 1118123Notes

Reaction equation

HRID 1118123 reaction equation
[Cl:1][c:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[c:9](-[c:19]2[cH:20][cH:21][c:22]([O:25][S:26]([CH3:27])(=[O:28])=[O:29])[cH:23][cH:24]2)[c:10]2[c:11]3[c:12]([s:13][c:14]12)[cH:15][cH:16][cH:17][cH:18]3.[ClH:33].[Na+:31].[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[OH-:30].[OH2:32]>>[Cl:1][c:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[c:9](-[c:19]2[cH:20][cH:21][c:22]([OH:25])[cH:23][cH:24]2)[c:10]2[c:11]3[c:12]([s:13][c:14]12)[cH:15][cH:16][cH:17][cH:18]3

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 312751,4-DioxaneHCID 15481263Methanesulfonic acid 4-(6-Chloro-benzo[b]naphtho[2,3-d]thiophen-11-yl)-phenyl ester

Product 1

HCID 154812674-(6-Chloro-benzo[b]naphtho[2,3-d]thiophen-11-yl)-phenol

Sources & evidence

ORD record
ord-601586a9f7fb4f15a8922edd59d75daa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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