HRID673633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)Nc1sc(-c2ccccc2F)nc1C(=O)O

HCID67436713

未命名化合物

结构：O=C(NC1CCCN(c2c([N+](=O)[O-])cnn2C2CC2)CC1)C(F)(F)F

HCID87400629

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1sc(-c2ccccc2F)nc1C(=O)Nc1cnn(C2CC2)c1N1CCCC(NC(=O)C(F)(F)F)CC1

HCID87400431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8566543940cf4396b7de78f688ed0ccf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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