HRID2128170

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)OC(C)(C)C

HCID17750221

tert-Butyl [2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

C18H28BNO5

结构：Nc1ncnc2c1c(I)nn2C1CCN(Cc2ncc[nH]2)CC1

HCID22346677

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2nn(C3CCN(Cc4ncc[nH]4)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C

HCID22347020

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85d23b4e5aae44de8319dc3172a887bc
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

[CH3:24][O:25][c:26]1[c:27]([NH:41][C:42]([O:43][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:48])[cH:28][cH:29][c:30]([B:32]2[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]2)[cH:31]1.[CH3:55][O:56][CH2:57][CH2:58][O:59][CH3:60].[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[OH2:61].[nH:1]1[c:2]([CH2:6][N:7]2[CH2:8][CH2:9][CH:10]([n:13]3[n:14][c:15]([I:23])[c:16]4[c:17]3[n:18][cH:19][n:20][c:21]4[NH2:22])[CH2:11][CH2:12]2)[n:3][cH:4][cH:5]1>>[n:1]1[c:2]([CH2:6][N:7]2[CH2:8][CH2:9][CH:10]([n:13]3[n:14][c:15](-[c:30]4[cH:29][cH:28][c:27]([NH:41][C:42]([O:43][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:48])[c:26]([O:25][CH3:24])[cH:31]4)[c:16]4[c:17]3[n:18][cH:19][n:20][c:21]4[NH2:22])[CH2:11][CH2:12]2)[nH:3][cH:4][cH:5]1