HRID702168

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID7504

Benzylamine

C7H9N

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CSc1nc(-c2cc(C(=O)O)ccc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

HCID57530530

未命名化合物

PRODUCTS

生成物

结构：CSc1nc(-c2cc(C(=O)NCc3ccccc3)ccc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

HCID59212703

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-670b3983c90c4fc6b60281d34a96ed10
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[NH2:39].[CH2:40]([Cl:41])[CH2:42][Cl:43].[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[Cl:54][CH2:55][Cl:56].[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:31])[cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([S:29][CH3:30])[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[OH:24])[cH:25][cH:26][c:27]2[CH3:28])[c:4]([F:8])[cH:5][cH:6][cH:7]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[c:3](-[n:9]2[c:10](=[O:31])[cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([S:29][CH3:30])[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:24])[NH:39][CH2:32][c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:25][cH:26][c:27]2[CH3:28])[c:4]([F:8])[cH:5][cH:6][cH:7]1