HRID1132000

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID15970

2-Thiopheneacetic acid

C6H6O2S

结构：O=C(Nc1ccc2c(c1)CCNC2)c1ccccc1-c1ccc(C(F)(F)F)cc1

HCID11014758

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc2c(c1)CCN(C(=O)Cc1cccs1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1

HCID10208205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3426d531dbe4aa3b3ebc0f63e19392a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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