HRID1535273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6386

tert-Butyl alcohol

C4H10O

HCID81531

Diisopropylethylamine

C8H19N

HCID11679841

1-(1H-Pyrrolo[2,3-b]pyridin-4-yl)methanamine

C8H9N3

结构：CC(C)(C)OC(=O)N1Cc2cc(NC(=O)c3cccnc3F)ccc2C(C)(C)C1

HCID21959516

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1Cc2cc(NC(=O)c3cccnc3NCc3ccnc4[nH]ccc34)ccc2C(C)(C)C1

HCID60053729

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06da832f3aa9431fb4e32882851a9547
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

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