HRID2332244

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID51561128

未命名化合物

结构：CC(C)(C)OC(=O)C1=C(Cl)CSC2C(NC(=O)C(=NOCCF)c3nc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)sc3Cl)C(=O)N12

HCID178450742

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1=C(Sc2nnc(N)s2)CSC2C(NC(=O)C(=NOCCF)c3nc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)sc3Cl)C(=O)N12

HCID178450778

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55f79b54283348ca9eceac8699801131
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C:8]1=[C:15]([Cl:16])[CH2:14][S:13][CH:12]2[N:9]1[C:10](=[O:52])[CH:11]2[NH:17][C:18]([C:19](=[N:20][O:21][CH2:22][CH2:23][F:24])[c:25]1[n:26][c:27]([NH:31][C:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[s:28][c:29]1[Cl:30])=[O:51].[NH2:53][c:54]1[n:55][n:56][c:57]([S-:59])[s:58]1.[Na+:60].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C:8]1=[C:15]([S:59][c:57]2[n:56][n:55][c:54]([NH2:53])[s:58]2)[CH2:14][S:13][CH:12]2[N:9]1[C:10](=[O:52])[CH:11]2[NH:17][C:18]([C:19](=[N:20][O:21][CH2:22][CH2:23][F:24])[c:25]1[n:26][c:27]([NH:31][C:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[s:28][c:29]1[Cl:30])=[O:51]