HRID2336510

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6422

未命名化合物

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)NC(CC(=O)O)Cc1cc(F)c(F)cc1F

HCID21911205

未命名化合物

结构：CC(C)(C)OC(=O)N1Cc2ccccc2-n2nnc(-c3ccc(F)cc3)c2C1

HCID68780314

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(CC(=O)N1Cc2ccccc2-n2nnc(-c3ccc(F)cc3)c2C1)Cc1cc(F)c(F)cc1F

HCID68782199

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c86b3edbcc947cfb9d3292513e2e895
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:1]([O:2][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([cH:25][cH:26][cH:27][cH:28]2)-[n:12]2[n:13][n:14][c:15](-[c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)[c:16]2[CH2:17]1)([CH3:3])([CH3:4])[CH3:5].[C:36]([CH3:37])([CH3:38])([CH3:39])[O:40][C:41](=[O:42])[NH:43][CH:44]([CH2:45][C:46]([OH:47])=[O:48])[CH2:49][c:50]1[c:51]([F:58])[cH:52][c:53]([F:57])[c:54]([F:56])[cH:55]1.[CH2:78]([Cl:79])[CH2:80][Cl:81].[CH:69]([N:70]([CH2:71][CH3:72])[CH:73]([CH3:74])[CH3:75])([CH3:76])[CH3:77].[OH:29][C:30]([C:31]([F:32])([F:33])[F:34])=[O:35].[OH:59][n:60]1[c:61]2[c:62]([cH:63][cH:64][cH:65][cH:66]2)[n:67][n:68]1>>[C:6](=[O:7])([N:8]1[CH2:9][c:10]2[c:11]([cH:25][cH:26][cH:27][cH:28]2)-[n:12]2[n:13][n:14][c:15](-[c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)[c:16]2[CH2:17]1)[CH2:45][CH:44]([NH:43][C:41]([O:40][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:42])[CH2:49][c:50]1[c:51]([F:58])[cH:52][c:53]([F:57])[c:54]([F:56])[cH:55]1