HRID296748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6342

Acetonitrile

C2H3N

反应SMILES：CC(C)(C)OC(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(c3cnc(NC(=O)c4cccnc4)s3)CSC12

HCID20402455

未命名化合物

PRODUCTS

产物

反应SMILES：NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(c3cnc(NC(=O)c4cccnc4)s3)CSC12

HCID20430428

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e0c3ef380766487eab8725201f02c905
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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