HRID199973

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID55295688

1-(4,6-Dimethyl-2-pyrimidinyl)cyclopropanamine

C9H13N3

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)O)c(OC)cc3C)c(F)c12

HCID59275464

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5nc(C)cc(C)n5)CC4)c(OC)cc3C)c(F)c12

HCID59505160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfeca4c9d4454aab8223b8f1ea40dfb2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:46]([N:47]([CH2:48][CH3:49])[CH2:50][CH3:51])[CH3:52].[CH3:34][c:35]1[n:36][c:37]([C:42]2([NH2:45])[CH2:43][CH2:44]2)[n:38][c:39]([CH3:41])[cH:40]1.[F:1][c:2]1[c:3](-[c:22]2[c:23]([CH3:33])[cH:24][c:25]([O:31][CH3:32])[c:26]([C:27](=[O:28])[OH:29])[cH:30]2)[cH:4][cH:5][c:6]2[c:7]1[c:8]([C:18]([NH:19][CH3:20])=[O:21])[c:9](-[c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1)[o:10]2.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[F:1][c:2]1[c:3](-[c:22]2[c:23]([CH3:33])[cH:24][c:25]([O:31][CH3:32])[c:26]([C:27](=[O:29])[NH:45][C:42]3([c:37]4[n:36][c:35]([CH3:34])[cH:40][c:39]([CH3:41])[n:38]4)[CH2:43][CH2:44]3)[cH:30]2)[cH:4][cH:5][c:6]2[c:7]1[c:8]([C:18]([NH:19][CH3:20])=[O:21])[c:9](-[c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1)[o:10]2