HRID206292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)(C)OC(=O)N1CC(COC2CCCCC2)OCC1C(O)C(N)Cc1cc(F)cc(F)c1

HCID77513999

未命名化合物

HCID90797914

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCC)C(=O)C=C(C)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C1COC(COC2CCCCC2)CN1C(=O)OC(C)(C)C

HCID178457281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e179d1e0a80844379c6e694d97fddf7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:38]([CH3:39])([CH3:40])([CH3:41])[O:42][C:43](=[O:44])[N:45]1[CH2:46][CH:47]([CH2:64][O:65][CH:66]2[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]2)[O:48][CH2:49][CH:50]1[CH:51]([CH:52]([CH2:53][c:54]1[cH:55][c:56]([F:61])[cH:57][c:58]([F:60])[cH:59]1)[NH2:62])[OH:63].[CH2:1]([CH2:2][CH3:3])[N:4]([C:5](=[O:6])[CH:7]=[C:8]([C:9](=[O:10])[OH:11])[CH3:12])[CH2:13][CH2:14][CH3:15].[CH3:17][N:18]([CH3:19])[CH2:20][CH2:21][CH2:22][N:23]=[C:24]=[N:25][CH2:26][CH3:27].[Cl:72][CH2:73][Cl:74].[ClH:16].[OH:28][n:29]1[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[CH2:1]([CH2:2][CH3:3])[N:4]([C:5](=[O:6])[CH:7]=[C:8]([C:9](=[O:11])[NH:62][CH:52]([CH:51]([CH:50]1[N:45]([C:43]([O:42][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:44])[CH2:46][CH:47]([CH2:64][O:65][CH:66]2[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]2)[O:48][CH2:49]1)[OH:63])[CH2:53][c:54]1[cH:55][c:56]([F:61])[cH:57][c:58]([F:60])[cH:59]1)[CH3:12])[CH2:13][CH2:14][CH3:15]