HRID2138644

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID248474

Acetic acid, (p-tolyl)-

C9H10O2

结构：NC1CCN(C(=O)c2ccncc2Nc2ccc(I)cc2F)CC1

HCID11647870

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(CC(=O)NC2CCN(C(=O)c3ccncc3Nc3ccc(I)cc3F)CC2)cc1

HCID11548696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97fa8a9bc886430c81366aca947e09f4
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

[C:12]([n:13]1[cH:14][cH:15][n:16][cH:17]1)([n:18]1[cH:19][cH:20][n:21][cH:22]1)=[O:23].[CH3:50][S:51]([CH3:52])=[O:53].[ClH:24].[NH2:25][CH:26]1[CH2:27][CH2:28][N:29]([C:32](=[O:33])[c:34]2[c:35]([NH:40][c:41]3[c:42]([F:48])[cH:43][c:44]([I:47])[cH:45][cH:46]3)[cH:36][n:37][cH:38][cH:39]2)[CH2:30][CH2:31]1.[OH2:49].[c:1]1([CH3:11])[cH:2][cH:3][c:4]([CH2:7][C:8](=[O:9])[OH:10])[cH:5][cH:6]1>>[c:1]1([CH3:11])[cH:2][cH:3][c:4]([CH2:7][C:8](=[O:10])[NH:25][CH:26]2[CH2:27][CH2:28][N:29]([C:32](=[O:33])[c:34]3[c:35]([NH:40][c:41]4[c:42]([F:48])[cH:43][c:44]([I:47])[cH:45][cH:46]4)[cH:36][n:37][cH:38][cH:39]3)[CH2:30][CH2:31]2)[cH:5][cH:6]1