HRID1545462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID28486

Lithium ion

Li+

结构：O=C(Cc1cccs1)Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc4c(c3)CC(NC(=O)C(F)(F)F)C4)n2)c1

HCID57737177

2,2,2-Trifluoro-N-(5-{[4-(2-{3-[(2-thienylacetyl)amino]phenyl}pyrazolo-[1,5-a]pyridin-3-yl)-2-pyrimidinyl]amino}-2,3-dihydro-1H-inden-2-yl)acetamide

C34H26F3N7O2S

PRODUCTS

生成物

结构：NC1Cc2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)Cc6cccs6)c5)nn5ccccc45)n3)cc2C1

HCID57737244

N-[3-(3-{2-[(2-Amino-2,3-dihydro-1H-inden-5-yl)amino]-4-pyrimidinyl}pyrazolo[1,5-a]pyridin-2-yl)phenyl]-2-(2-thienyl)acetamide

C32H27N7OS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c112b0e69438436aa58c46d59c488190
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

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