HRID2340289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID15879

3-Chlorophenylacetic acid

C8H7ClO2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

结构：Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccccc3)n2)c1

HCID57737223

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1cccc(Cl)c1)Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccccc3)n2)c1

HCID68685520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15139017738a459487261eb42faf8c70
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:30]([n:31]1[cH:32][cH:33][n:34][cH:35]1)([n:36]1[cH:37][cH:38][n:39][cH:40]1)=[O:41].[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:53][OH:54].[Cl:42][c:43]1[cH:44][c:45]([CH2:49][C:50](=[O:51])[OH:52])[cH:46][cH:47][cH:48]1.[NH2:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][n:10]3[c:11]([cH:12][cH:13][cH:14][cH:15]3)[c:16]2-[c:17]2[n:18][c:19]([NH:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[n:20][cH:21][cH:22]2)[cH:5][cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][c:4](-[c:8]2[n:9][n:10]3[c:11]([cH:12][cH:13][cH:14][cH:15]3)[c:16]2-[c:17]2[n:18][c:19]([NH:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[n:20][cH:21][cH:22]2)[cH:5][cH:6][cH:7]1)[C:50]([CH2:49][c:45]1[cH:44][c:43]([Cl:42])[cH:48][cH:47][cH:46]1)=[O:51]