HRID1119996

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7237

o-Xylene

C8H10

HCID15096

Tributyltin chloride

C12H27ClSn

HCID605722

5-bromothiophene-2-carboxamide

C5H4BrNOS

结构：Fc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(I)n3c2)cc1

HCID22031070

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)s1

HCID22031978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dae97550e04c4596a2863ab9f1ec65a2
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

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