HRID111042

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID5328042

N4-(3-Bromophenyl)quinazoline-4,6-diamine

C14H11BrN4

HCID21190738

未命名化合物

PRODUCTS

生成物

结构：CC(C)CSSCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

HCID10184115

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c17bd656d48b435fb5c9045780879591
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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