HRID150491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID78642

N2,N2-Dimethylpyridine-2,5-diamine

C7H11N3

结构：O=C(O)c1cc2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1

HCID57431532

1-[(3-Fluorophenyl)methyl]-5-(trifluoromethyl)-1H-indole-2-carboxylic acid

C17H11F4NO2

PRODUCTS

生成物

结构：CN(C)c1ccc(NC(=O)c2cc3cc(C(F)(F)F)ccc3n2Cc2cccc(F)c2)cn1

HCID68932753

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7f8151c129f450799efb21e2fc2d01e
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

[CH3:36][N:37]([CH3:38])[CH2:39][CH2:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH3:46].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[ClH:35].[F:11][C:12]([c:13]1[cH:14][c:15]2[cH:16][c:17]([C:30](=[O:31])[OH:32])[n:18]([CH2:22][c:23]3[cH:24][c:25]([F:29])[cH:26][cH:27][cH:28]3)[c:19]2[cH:20][cH:21]1)([F:33])[F:34].[NH2:1][c:2]1[cH:3][n:4][c:5]([N:8]([CH3:9])[CH3:10])[cH:6][cH:7]1.[OH2:47].[OH2:63].[OH:48][n:49]1[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[NH:1]([c:2]1[cH:3][n:4][c:5]([N:8]([CH3:9])[CH3:10])[cH:6][cH:7]1)[C:30]([c:17]1[cH:16][c:15]2[cH:14][c:13]([C:12]([F:11])([F:33])[F:34])[cH:21][cH:20][c:19]2[n:18]1[CH2:22][c:23]1[cH:24][c:25]([F:29])[cH:26][cH:27][cH:28]1)=[O:31]