HRID692861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)Cc1cccc(OCc2csc(CCc3nc(-c4ccccc4)oc3C)n2)c1

HCID68884766

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(-c2ccccc2)nc1CCc1nc(COc2cccc(CC(=O)O)c2)cs1

HCID68884579

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f1d33daaeac4a379cc88d2ff8e42671
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([CH2:13][CH2:14][c:15]2[s:16][cH:17][c:18]([CH2:20][O:21][c:22]3[cH:23][c:24]([CH2:28][C:29](=[O:30])[O:31][CH3:32])[cH:25][cH:26][cH:27]3)[n:19]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[CH3:42][OH:43].[ClH:40].[Na+:39].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[OH-:38].[OH2:41]>>[CH3:1][c:2]1[c:3]([CH2:13][CH2:14][c:15]2[s:16][cH:17][c:18]([CH2:20][O:21][c:22]3[cH:23][c:24]([CH2:28][C:29](=[O:30])[OH:31])[cH:25][cH:26][cH:27]3)[n:19]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1