HRID689147

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6386

tert-Butyl alcohol

C4H10O

HCID272109

1-chloro-4-phenylphthalazine

C14H9ClN2

HCID178510701

未命名化合物

PRODUCTS

生成物

结构：N#Cc1n[nH]cc1-c1cccnc1Oc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1

HCID178510700

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bd905e9b24a41c6a4a6fbfffe3a67f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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