HRID98787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID224558

Pyrrole-2-carbonyl chloride

C5H4ClNO

结构：CN(C)CCCN(C)c1ccc(C(=O)Nc2n[nH]c3ccc(OCc4cc(F)cc(F)c4)cc23)c(N)c1

HCID46244400

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCCN(C)c1ccc(C(=O)Nc2n[nH]c3ccc(OCc4cc(F)cc(F)c4)cc23)c(NC(=O)c2ccc[nH]2)c1

HCID46244579

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-889b69a4bc954292a511ac76d8c96c1c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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