HRID1564554

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID23642

Benzenethiol, 2-methoxy-

C7H8OS

结构：N#CCOc1cc(-c2nc(N)nc(S(=O)Cc3ccccc3)n2)c(Cl)cc1Cl

HCID57898869

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1Sc1nc(N)nc(-c2cc(OCC#N)c(Cl)cc2Cl)n1

HCID57898818

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e459fc8f3686421b8c76baff6b6413ea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH3:8][O:9][c:10]1[c:11]([SH:16])[cH:12][cH:13][cH:14][cH:15]1.[NH2:17][c:18]1[n:19][c:20](-[c:33]2[c:34]([Cl:44])[cH:35][c:36]([Cl:43])[c:37]([O:38][CH2:39][C:40]#[N:41])[cH:42]2)[n:21][c:22]([S:24]([CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)=[O:32])[n:23]1>>[CH3:8][O:9][c:10]1[c:11]([S:16][c:22]2[n:21][c:20](-[c:33]3[c:34]([Cl:44])[cH:35][c:36]([Cl:43])[c:37]([O:38][CH2:39][C:40]#[N:41])[cH:42]3)[n:19][c:18]([NH2:17])[n:23]2)[cH:12][cH:13][cH:14][cH:15]1