HRID683818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75646

Cyclopropanemethanamine

C4H9N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

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

HCID10296719

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC1CC1)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1

HCID10206593

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72cc48fe5716401487a073712f702f57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:39][N:40]([CH3:41])[CH2:42][CH2:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH3:49].[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[CH:33]1([CH2:36][NH2:37])[CH2:34][CH2:35]1.[Cl:67][CH2:68][Cl:69].[ClH:38].[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:50][n:51]1[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]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][CH:33]5[CH2:34][CH2:35]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]