HRID684632

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)Nc1sc(-c2c(F)cccc2F)nc1C(=O)O

HCID67438198

5-[(tert-Butoxycarbonyl)amino]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylic acid

C15H14F2N2O4S

结构：O=C(NC1CCCN(c2c([N+](=O)[O-])cnn2CC2CC2)CC1)C(F)(F)F

HCID87400651

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC2CC2)c1N1CCCC(NC(=O)C(F)(F)F)CC1

HCID87401127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8bf9e074ecf74070aa27ae0929232fb8
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:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[NH:34][c:35]1[c:36]([C:48](=[O:49])[OH:50])[n:37][c:38](-[c:40]2[c:41]([F:47])[cH:42][cH:43][cH:44][c:45]2[F:46])[s:39]1.[CH:1]1([CH2:4][n:5]2[n:6][cH:7][c:8]([N+:24]([O-:25])=[O:26])[c:9]2[N:10]2[CH2:11][CH2:12][CH:13]([NH:17][C:18]([C:19]([F:20])([F:21])[F:22])=[O:23])[CH2:14][CH2:15][CH2:16]2)[CH2:2][CH2:3]1>>[CH:1]1([CH2:4][n:5]2[n:6][cH:7][c:8]([NH:24][C:48]([c:36]3[c:35]([NH:34][C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])[s:39][c:38](-[c:40]4[c:41]([F:47])[cH:42][cH:43][cH:44][c:45]4[F:46])[n:37]3)=[O:49])[c:9]2[N:10]2[CH2:11][CH2:12][CH:13]([NH:17][C:18]([C:19]([F:20])([F:21])[F:22])=[O:23])[CH2:14][CH2:15][CH2:16]2)[CH2:2][CH2:3]1