HRID2140139

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID26255

Tetrafluoroborate

BF4-

HCID130500

O-benzotriazol-1-yl-tetramethyluronium

C11H16N5O+

HCID22169775

未命名化合物

HCID178472834

未命名化合物

PRODUCTS

产物

HCID178472833

ethyl 2-[[1-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

C34H43N5O7

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4f7ef6d6efec4207ae6631574fc6bc07
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[B-:55]([F:56])([F:57])([F:58])[F:59].[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][N:6]([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH:14]([C:15](=[O:16])[N:17]1[CH:18]([C:22](=[O:23])[OH:24])[CH2:19][CH2:20][CH2:21]1)[CH2:25][c:26]1[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]1)=[O:34].[CH3:48][N:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[CH:77]([N:78]([CH3:79])[CH3:80])=[O:81].[NH2:35][CH2:36][c:37]1[cH:38][c:39]2[cH:40][cH:41][n:42][c:43]([NH2:47])[c:44]2[cH:45][cH:46]1.[n:60]1([O:61][C:62]([N:63]([CH3:64])[CH3:65])=[N+:66]([CH3:67])[CH3:68])[c:69]2[cH:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][N:6]([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH:14]([C:15](=[O:16])[N:17]1[CH:18]([C:22](=[O:23])[NH:35][CH2:36][c:37]2[cH:38][c:39]3[cH:40][cH:41][n:42][c:43]([NH2:47])[c:44]3[cH:45][cH:46]2)[CH2:19][CH2:20][CH2:21]1)[CH2:25][c:26]1[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]1)=[O:34]