HRID687532

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6568

2-Butanol

C4H10O

HCID8058

n-Hexane

C6H14

HCID9207

Phthalazine

C8H6N2

HCID272109

1-chloro-4-phenylphthalazine

C14H9ClN2

HCID61147722

未命名化合物

PRODUCTS

生成物

结构：Brc1ccccc1Oc1ncc(Nc2nnc(-c3ccccc3)c3ccccc23)cn1

HCID57756263

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c5abaf30a3b44f0a8ee560da646ba48
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

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