Water → 2,4-Diamino-6-ethyl-5-(4-chloro-3-decylcarbonylaminophenyl)pyrimidine

HRID 166099

반응식

HRID 166099 반응식
[C:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])(=[O:30])[Cl:31].[NH2:1][c:2]1[n:3][c:4]([CH2:17][CH3:18])[c:5](-[c:9]2[cH:10][c:11]([NH2:16])[c:12]([Cl:15])[cH:13][cH:14]2)[c:6]([NH2:8])[n:7]1.[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH2:43].[cH:32]1[cH:33][cH:34][n:35][cH:36][cH:37]1>>[NH2:1][c:2]1[n:3][c:4]([CH2:17][CH3:18])[c:5](-[c:9]2[cH:10][c:11]([NH:16][C:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])=[O:30])[c:12]([Cl:15])[cH:13][cH:14]2)[c:6]([NH2:8])[n:7]1

참가 물질

6

반응물 5

HCID 962WaterHCID 1049PyridineHCID 8028TetrahydrofuranHCID 87287Undecanoyl chlorideHCID 3307115-(3-Amino-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine

생성물 1

HCID 199555642,4-Diamino-6-ethyl-5-(4-chloro-3-decylcarbonylaminophenyl)pyrimidine

출처 및 근거

ORD 기록
ord-4086abed9fab464ebc12791c1cb34580
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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