HRID2130642

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID2736547

2-Chloro-6-fluorobenzoyl chloride

C7H3Cl2FO

结构：Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(F)c3)n2)c1

HCID59511403

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(F)c3)n2)c1)c1c(F)cccc1Cl

HCID59513807

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b7b8acfebb0417a87cc695a31c83311
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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