HRID310817

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID3352185

Neopentyl chloroformate

C6H11ClO2

HCID21226386

Carbonochloridate

CClO2-

结构：Cc1ccc2c(N3CCC(N)C3)nc(-c3ccccc3O)nc2c1

HCID136121513

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(N3CCC(NC(=O)OCC(C)(C)C)C3)nc(-c3ccccc3O)nc2c1

HCID178422901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36e28253e4db4734a019f53991bd3e9e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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