HRID93708

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID28486

Lithium ion

Li+

结构：COC(=O)C(c1ccc(Cl)nn1)c1cc(C2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)ccc1Cl

HCID90944119

未命名化合物

PRODUCTS

生成物

结构：Clc1ccc(Cc2cc(C3OC(COCc4ccccc4)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)ccc2Cl)nn1

HCID91058916

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f29bcf2acabf4ba0ba0f6da848e30494
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:59][OH:60].[Cl:1][c:2]1[c:3]([CH:47]([C:48]([O:49][CH3:50])=[O:51])[c:52]2[n:53][n:54][c:55]([Cl:58])[cH:56][cH:57]2)[cH:4][c:5]([CH:8]2[O:9][CH:10]([CH2:38][O:39][CH2:40][c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[CH:11]([O:30][CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH:12]([O:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH:13]2[O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:6][cH:7]1.[ClH:63].[Li+:61].[OH-:62].[OH2:64]>>[Cl:1][c:2]1[c:3]([CH2:47][c:52]2[n:53][n:54][c:55]([Cl:58])[cH:56][cH:57]2)[cH:4][c:5]([CH:8]2[O:9][CH:10]([CH2:38][O:39][CH2:40][c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[CH:11]([O:30][CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH:12]([O:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH:13]2[O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:6][cH:7]1