HRID700171

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID24813

Phosphoric trichloride

Cl3OP

HCID78278

2,3-Difluoroaniline

C6H5F2N

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)c1F

HCID16221453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4241ab7d2b8a48aaa6276fcc0df45f9c
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

[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:10][CH2:11][CH2:12][CH2:13][O:14][c:15]1[cH:16][cH:17][c:18]2[c:19]([NH:25][c:26]3[n:27][nH:28][c:29]([CH2:31][C:32](=[O:33])[OH:34])[cH:30]3)[n:20][cH:21][n:22][c:23]2[cH:24]1.[F:1][c:2]1[c:3]([NH2:4])[cH:5][cH:6][cH:7][c:8]1[F:9].[P:35]([Cl:36])([Cl:37])([Cl:38])=[O:39].[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[F:1][c:2]1[c:3]([NH:4][C:32]([CH2:31][c:29]2[nH:28][n:27][c:26]([NH:25][c:19]3[c:18]4[cH:17][cH:16][c:15]([O:14][CH2:13][CH2:12][CH2:11][Cl:10])[cH:24][c:23]4[n:22][cH:21][n:20]3)[cH:30]2)=[O:33])[cH:5][cH:6][cH:7][c:8]1[F:9]