HRID1239377

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID28486

Lithium ion

Li+

HCID87885

Propanoic acid, 2,2-dimethyl-, chloromethyl ester

C6H11ClO2

结构：CCOC(=O)c1c(C(C)(C)O)nc(CC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19036058

未命名化合物

PRODUCTS

生成物

结构：CCc1nc(C(C)(C)O)c(C(=O)OCOC(=O)C(C)(C)C)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19036080

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ba6752dea3640a68dd6f38b349eadd6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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