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Hydrochloric Acid → Hydrochloric Acid

HRID 193188
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HRID 193188 반응식
[CH2:69]([Cl:70])[Cl:71].[CH3:36][S:37](=[O:38])(=[O:39])[CH2:40][CH2:41][CH2:42][OH:43].[CH3:64][CH2:65][O:66][CH2:67][CH3:68].[ClH:63].[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[OH:13][c:14]1[c:15]([O:34][CH3:35])[cH:16][c:17]2[c:18]([NH:24][c:25]3[c:26]4[c:27]([cH:28][cH:29][cH:30]3)[O:31][CH2:32][O:33]4)[n:19][cH:20][n:21][c:22]2[cH:23]1.[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[ClH:63].[O:13]([c:14]1[c:15]([O:34][CH3:35])[cH:16][c:17]2[c:18]([NH:24][c:25]3[c:26]4[c:27]([cH:28][cH:29][cH:30]3)[O:31][CH2:32][O:33]4)[n:19][cH:20][n:21][c:22]2[cH:23]1)[CH2:42][CH2:41][CH2:40][S:37]([CH3:36])(=[O:38])=[O:39]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 7

HCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 11776TriphenylphosphineHCID 2004243-(Methylsulfonyl)-1-propanolHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 1355941137-Hydroxy-6-methoxy-4-(2,3-methylenedioxyanilino)quinazoline

생성물 2

HCID 313Hydrochloric AcidHCID 21935990N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine

출처 및 근거

ORD 기록
ord-e408b7470c714b67a8f7ffa918b41b2d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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