HRID1567676

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

结构：CN(C)C(=O)C1CN(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCO1

HCID71138530

未命名化合物

结构：CC(C)(C)OC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(Cl)nc43)cc2)CCC1

HCID86675348

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)C1CN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(NC(=O)OC(C)(C)C)CCC6)cc5)c4n3)c2)CCO1

HCID71142527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-211c707892df43cb8e4ce35144468b2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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