HRID182355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID12269

Benzene, 1-chloro-3-iodo-

C6H4ClI

HCID24290

未命名化合物

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID11425318

未命名化合物

PRODUCTS

生成物

结构：O=C(CCCCC#Cc1cccc(Cl)c1)c1ncc(-c2ccccn2)o1

HCID16737627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-027fd07aa67c4ce2ab339766e3d7944e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH3:9][CH2:10][N:11]([CH2:12][CH3:13])[CH2:14][CH3:15].[Cl:1][c:2]1[cH:3][c:4]([I:8])[cH:5][cH:6][cH:7]1.[Cu:81][I:82].[O:16]=[C:17]([CH2:18][CH2:19][CH2:20][CH2:21][C:22]#[CH:23])[c:24]1[o:25][c:26](-[c:29]2[n:30][cH:31][cH:32][cH:33][cH:34]2)[cH:27][n:28]1.[Pd:40]([Cl:41])[Cl:42].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[Cl:1][c:2]1[cH:3][c:4]([C:23]#[C:22][CH2:21][CH2:20][CH2:19][CH2:18][C:17](=[O:16])[c:24]2[o:25][c:26](-[c:29]3[n:30][cH:31][cH:32][cH:33][cH:34]3)[cH:27][n:28]2)[cH:5][cH:6][cH:7]1