HRID168339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID175

Acetate

C2H3O2-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID24813

Phosphoric trichloride

Cl3OP

结构：O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cc2c(s1)CCCC2

HCID59520488

N-(4,5,6,7-Tetrahydro-benzo[b]thiophen-2-yl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydro indazol-1-yl)-acetamide

C18H20F3N3OS

PRODUCTS

生成物

结构：O=Cc1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)sc2c1CCCC2

HCID59520503

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80fd423aef024a43a74cbfd8580a7319
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:38][C:39](=[O:40])[O-:41].[Cl:42][CH2:43][CH2:44][Cl:45].[Cl:46][CH2:47][Cl:48].[Na+:37].[O:6]=[CH:7][N:8]([CH3:9])[CH3:10].[P:1]([Cl:2])([Cl:3])([Cl:4])=[O:5].[s:11]1[c:12]2[c:13]([cH:14][c:15]1[NH:16][C:17]([CH2:18][n:19]1[n:20][c:21]([C:28]([F:29])([F:30])[F:31])[c:22]3[c:27]1[CH2:26][CH2:25][CH2:24][CH2:23]3)=[O:32])[CH2:33][CH2:34][CH2:35][CH2:36]2>>[O:6]=[CH:7][c:14]1[c:13]2[c:12]([s:11][c:15]1[NH:16][C:17]([CH2:18][n:19]1[n:20][c:21]([C:28]([F:29])([F:30])[F:31])[c:22]3[c:27]1[CH2:26][CH2:25][CH2:24][CH2:23]3)=[O:32])[CH2:36][CH2:35][CH2:34][CH2:33]2