HRID281893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

结构：CCOCc1nc(C(C)(C)O)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19036157

未命名化合物

PRODUCTS

生成物

HCID28486

Lithium ion

Li+

结构：CCOCc1nc(C(C)(C)O)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178467661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7ed56c29a5d4feda6a260fa2745b5cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:4]([CH3:5])[O:6][CH2:7][c:8]1[n:9]([CH2:22][c:23]2[cH:24][cH:25][c:26](-[c:29]3[c:30](-[c:35]4[n:36][n:37][n:38][n:39]4[C:40]([c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)([c:47]4[cH:48][cH:49][cH:50][cH:51][cH:52]4)[c:53]4[cH:54][cH:55][cH:56][cH:57][cH:58]4)[cH:31][cH:32][cH:33][cH:34]3)[cH:27][cH:28]2)[c:10]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[c:11]([C:13]([CH3:14])([CH3:15])[OH:16])[n:12]1.[Li+:3].[O:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[OH-:2].[OH2:1].[OH2:59]>>[CH2:4]([CH3:5])[O:6][CH2:7][c:8]1[n:9]([CH2:22][c:23]2[cH:24][cH:25][c:26](-[c:29]3[c:30](-[c:35]4[n:36][n:37][n:38][n:39]4[C:40]([c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)([c:47]4[cH:48][cH:49][cH:50][cH:51][cH:52]4)[c:53]4[cH:54][cH:55][cH:56][cH:57][cH:58]4)[cH:31][cH:32][cH:33][cH:34]3)[cH:27][cH:28]2)[c:10]([C:17](=[O:18])[O-:19])[c:11]([C:13]([CH3:14])([CH3:15])[OH:16])[n:12]1.[Li+:3]