HRID2343864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID6993

Benzenemethanamine, 2-methyl-

C8H11N

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

反应SMILES：O=C(O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1

HCID10296719

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccccc1CNC(=O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1

HCID10302361

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cae1f2ecc89a469088d1209ece6d9108
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

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