HRID937139

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID7972

4-Methylmorpholine

C5H11NO

HCID9742

3-Fluoroaniline

C6H6FN

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID31374

Dimethylacetamide

C4H9NO

结构：O=C(O)Cc1cc(Nc2ncnc3cc(OCCCCl)ccc23)n[nH]1

HCID16221451

(3-{[7-(3-Chloropropoxy)quinazolin-4-yl]amino}-1H-pyrazol-5-yl)acetic acid

C16H16ClN5O3

PRODUCTS

生成物

结构：O=C(Cc1cc(Nc2ncnc3cc(OCCCCl)ccc23)n[nH]1)Nc1cccc(F)c1

HCID16221454

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f0172bfd99a4c9d8ef2916dbd72266a
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:43]([N:44]=[C:45]=[N:46][CH2:47][CH2:48][CH2:49][N:50]([CH3:51])[CH3:52])[CH3:53].[CH3:27][N:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[CH3:54][N:55]([CH3:56])[C:57](=[O:58])[CH3:59].[CH3:60][N:61]([CH3:62])[c:63]1[cH:64][cH:65][n:66][cH:67][cH:68]1.[CH3:70][C:71]#[N:72].[Cl:2][CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]2[c:11]([NH:17][c:18]3[n:19][nH:20][c:21]([CH2:23][C:24](=[O:25])[OH:26])[cH:22]3)[n:12][cH:13][n:14][c:15]2[cH:16]1.[ClH:1].[ClH:42].[NH2:34][c:35]1[cH:36][cH:37][cH:38][c:39]([F:40])[cH:41]1.[OH2:69]>>[Cl:2][CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]2[c:11]([NH:17][c:18]3[n:19][nH:20][c:21]([CH2:23][C:24](=[O:26])[NH:34][c:35]4[cH:36][cH:37][cH:38][c:39]([F:40])[cH:41]4)[cH:22]3)[n:12][cH:13][n:14][c:15]2[cH:16]1