HRID213992

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID94429

Triphosgene

C3Cl6O3

结构：CC(C)(C)OC(=O)N1CCc2c([nH]c3ccccc23)C1

HCID18377349

tert-Butyl 1,3,4,9-tetrahydro-2H-beta-carboline-2-carboxylate

C16H20N2O2

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2c(n(C(N)=O)c3ccccc23)C1

HCID18377281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7622fcb97821456e8ddb08b7aa7c24ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[nH:11][c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[c:18]2[CH2:19][CH2:20]1.[CH2:27]([Li:28])[CH2:29][CH2:30][CH3:31].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26].[Cl:32][C:33]([Cl:34])([O:35][C:36]([O:37][C:38]([Cl:39])([Cl:40])[Cl:41])=[O:42])[Cl:43].[NH3:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[n:11]([C:36](=[O:42])[NH2:44])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[c:18]2[CH2:19][CH2:20]1