HRID950364

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

结构：CN(CCCCCCCN)CCC(c1ccc(Cl)cc1)c1ccccn1

HCID19762535

未命名化合物

结构：N#CNC(=NCCSCc1csc(NC(=N)N)n1)Oc1ccccc1

HCID178512334

未命名化合物

PRODUCTS

生成物

结构：CN(CCCCCCCNC(=NCCSCc1csc(NC(=N)N)n1)NC#N)CCC(c1ccc(Cl)cc1)c1ccccn1

HCID178483433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f04687354b4740b7b6c873ed245d34e5
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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