HRID1203743

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC1CN(C(=O)COc2ccc(Cl)cc2CN)C(C)CN1Cc1ccc(F)cc1

HCID21973409

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CC(=O)NCc1cc(Cl)ccc1OCC(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C

HCID18768106

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-361aafc5090b4b649d3fa032f0f4b971
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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