HRID122464

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID1001

Phenethylamine

C8H11N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(NC(Cc1ccccc1)C(O)C(=O)O)c1cccnc1-n1ccc(-c2ccc(F)cc2)n1

HCID67239352

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(Cc1ccccc1)C(O)C(=O)NCCc1ccccc1)c1cccnc1-n1ccc(-c2ccc(F)cc2)n1

HCID67238427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a77b34980e4424bb05abf91bc606191
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

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