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Hydroxide → tert-butyl N-[1-[5-bromo-3-(propanoylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl]carbamate

HRID 1132755
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반응식

HRID 1132755 반응식
[C:1]([CH2:2][CH3:3])(=[O:4])[Cl:5].[CH3:33][N:34]1[CH2:35][CH2:36][CH2:37][C:38]1=[O:39].[Cl:40][CH2:41][Cl:42].[Li+:32].[NH2:6][c:7]1[cH:8][nH:9][c:10]2[n:11][cH:12][c:13]([Br:30])[c:14]([N:16]3[CH2:17][CH:18]([NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:19][CH2:20][CH2:21]3)[c:15]12.[OH-:31].[OH2:43].[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1>>[C:1]([CH2:2][CH3:3])(=[O:4])[NH:6][c:7]1[cH:8][nH:9][c:10]2[n:11][cH:12][c:13]([Br:30])[c:14]([N:16]3[CH2:17][CH:18]([NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:19][CH2:20][CH2:21]3)[c:15]12
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 961HydroxideHCID 962WaterHCID 1049PyridineHCID 6344DichloromethaneHCID 13387N-methyl-2-pyrrolidoneHCID 28486Lithium ionHCID 62324Propionyl chloride
HCID 60205580
tert-butyl N-[1-(3-amino-5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate

생성물 1

HCID 60205614tert-butyl N-[1-[5-bromo-3-(propanoylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl]carbamate

출처 및 근거

ORD 기록
ord-77133b78b5f14d0da9a8c0fc87e089d6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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