HRID1115574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8071

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID2734355

2-Formylfuran-5-boronic acid

C5H5BO4

结构：Fc1cccc(COc2ccc(Nc3ncnc4ccc(I)cc34)cc2Cl)c1

HCID10174519

N-{3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-iodoquinazolin-4-amine

C21H14ClFIN3O

PRODUCTS

生成物

结构：O=Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1

HCID11181296

5-(4-{3-Chloro-4-[(3-fluorophenyl)methoxy]anilino}quinazolin-6-yl)furan-2-carbaldehyde

C26H17ClFN3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e591b9f57a374667aada1d159fea466a
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

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