HRID2157458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID81531

Diisopropylethylamine

C8H19N

HCID21882766

5-Iodopyridine-2,3-diamine

C5H6IN3

结构：Cc1cc(CCC(=O)O)nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID68461590

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CCC(=O)Nc2cc(I)cnc2N)nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID68461097

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7477f88efaf4c31920957f66474c975
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

[CH3:1][c:2]1[cH:3][c:4]([CH2:28][CH2:29][C:30](=[O:31])[OH:32])[n:5][c:6]([NH:8][C:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:7]1.[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[NH2:33][c:34]1[n:35][cH:36][c:37]([I:41])[cH:38][c:39]1[NH2:40].[cH:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1>>[CH3:1][c:2]1[cH:3][c:4]([CH2:28][CH2:29][C:30](=[O:31])[NH:40][c:39]2[c:34]([NH2:33])[n:35][cH:36][c:37]([I:41])[cH:38]2)[n:5][c:6]([NH:8][C:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:7]1