HRID190485

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6386

tert-Butyl alcohol

C4H10O

HCID81531

Diisopropylethylamine

C8H19N

HCID11679841

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

C8H9N3

HCID69263639

未命名化合物

PRODUCTS

生成物

结构：O=C1CSc2ccc(NC(=O)c3cccnc3NCc3ccnc4[nH]ccc34)cc2N1

HCID16224616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-372e0b946c69424ca3cb8f6f381bea7c
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:43]([OH:44])([CH3:45])([CH3:46])[CH3:47].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[ClH:22].[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][c:10]3[c:11]([cH:17]2)[NH:12][C:13](=[O:16])[CH2:14][S:15]3)[cH:18][cH:19][cH:20][n:21]1.[nH:23]1[cH:24][cH:25][c:26]2[c:27]1[n:28][cH:29][cH:30][c:31]2[CH2:32][NH2:33]>>[c:2]1([NH:33][CH2:32][c:31]2[c:26]3[cH:25][cH:24][nH:23][c:27]3[n:28][cH:29][cH:30]2)[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][c:10]3[c:11]([cH:17]2)[NH:12][C:13](=[O:16])[CH2:14][S:15]3)[cH:18][cH:19][cH:20][n:21]1