HRID308674

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

结构：COc1cc(-c2csc3c(N=C(c4ccccc4)c4ccccc4)cnc(N=CN(C)C)c23)ccc1NC(=O)c1cc2ccccc2n1C

HCID18451392

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2csc3c(N)cnc(N=CN(C)C)c23)ccc1NC(=O)c1cc2ccccc2n1C

HCID18451398

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca7e4d3009c44f548d17ca9e95205a71
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

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