HRID120808

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID136469

4-Trifluoromethylpiperidine

C6H10F3N

结构：CC(C)(C)OC(=O)N1CCC(N2CCC(Cc3c(Cl)cc(-c4ccc(C(=O)O)cc4)cc3Cl)C2=O)CC1

HCID66671649

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(N2CCC(Cc3c(Cl)cc(-c4ccc(C(=O)N5CCC(C(F)(F)F)CC5)cc4)cc3Cl)C2=O)CC1

HCID66671657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-308d3bb025ee40ae848185bc963d0aaf
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([N:14]2[C:15](=[O:37])[CH:16]([CH2:19][c:20]3[c:21]([Cl:36])[cH:22][c:23](-[c:27]4[cH:28][cH:29][c:30]([C:33](=[O:34])[OH:35])[cH:31][cH:32]4)[cH:24][c:25]3[Cl:26])[CH2:17][CH2:18]2)[CH2:12][CH2:13]1.[CH3:59][N:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[Cl:66][CH2:67][Cl:68].[ClH:38].[F:39][C:40]([CH:41]1[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]1)([F:47])[F:48].[OH:49][n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([N:14]2[C:15](=[O:37])[CH:16]([CH2:19][c:20]3[c:21]([Cl:36])[cH:22][c:23](-[c:27]4[cH:28][cH:29][c:30]([C:33](=[O:34])[N:44]5[CH2:43][CH2:42][CH:41]([C:40]([F:39])([F:47])[F:48])[CH2:46][CH2:45]5)[cH:31][cH:32]4)[cH:24][c:25]3[Cl:26])[CH2:17][CH2:18]2)[CH2:12][CH2:13]1