Triphosgene → 1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-(1-propan-2-ylpiperidin-4-yl)urea

반응식

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

참가 물질

반응물 3

HCID 94429Triphosgene

HCID 31633331-(Propan-2-yl)piperidin-4-amine

HCID 686284762-N-(2,3-dihydro-1H-inden-1-yl)quinoline-2,6-diamine

생성물 1

HCID 749539591-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-(1-propan-2-ylpiperidin-4-yl)urea

출처 및 근거

ORD 기록: ord-e101e7815cf443d19788643b469dd4ee
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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