Water → HCID 178473742, 화합물

HRID 1558216노트

반응식

HRID 1558216 반응식
[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([NH2:8])[CH2:6][CH2:7]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cl:9][C:10]1=[N:15][c:14]2[c:13]([n:19][c:18]([Cl:20])[n:17][c:16]2[NH:21][c:22]2[cH:23][c:24]([Cl:29])[c:25]([F:28])[cH:26][cH:27]2)[CH2:12][N:11]1[C:30]([CH3:31])=[O:32].[OH2:45]>>[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([NH:8][C:10]2=[N:15][c:14]3[c:13]([n:19][c:18]([Cl:20])[n:17][c:16]3[NH:21][c:22]3[cH:23][c:24]([Cl:29])[c:25]([F:28])[cH:26][cH:27]3)[CH2:12][N:11]2[C:30]([CH3:31])=[O:32])[CH2:6][CH2:7]1

참가 물질

6

반응물 5

HCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 27375314-Amino-1-methylpiperidineHCID 225929701-[2,6-Dichloro-8-(3-chloro-4-fluorophenylamino)-4H-pyrimido[5,4-d]pyrimidin-3-yl]ethanone

생성물 1

HCID 178473742HCID 178473742, 화합물

출처 및 근거

ORD 기록
ord-a039a58ab70b4851a9cca42a648ac53e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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