Dichloromethane → N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-3-propyl-1,2-benzoxazole-5-carboxamide

HRID 1571645Notes

Reaction equation

HRID 1571645 reaction equation
[CH2:1]([CH2:2][CH3:3])[c:4]1[n:5][o:6][c:7]2[c:8]1[cH:9][c:10]([C:13](=[O:14])[OH:15])[cH:11][cH:12]2.[CH2:73]([Cl:74])[Cl:75].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[NH2:49][CH:50]([CH:51]([CH2:52][NH:53][CH2:54][c:55]1[cH:56][c:57]([CH2:61][CH3:62])[cH:58][cH:59][cH:60]1)[OH:63])[CH2:64][c:65]1[cH:66][c:67]([F:72])[cH:68][c:69]([F:71])[cH:70]1.[P-:16]([F:17])([F:18])([F:19])([F:20])([F:21])[F:22].[n:23]1([O:24][C:25]([N:26]([CH3:27])[CH3:28])=[N+:29]([CH3:30])[CH3:31])[c:32]2[n:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[CH2:1]([CH2:2][CH3:3])[c:4]1[n:5][o:6][c:7]2[c:8]1[cH:9][c:10]([C:13](=[O:15])[NH:49][CH:50]([CH:51]([CH2:52][NH:53][CH2:54][c:55]1[cH:56][c:57]([CH2:61][CH3:62])[cH:58][cH:59][cH:60]1)[OH:63])[CH2:64][c:65]1[cH:66][c:67]([F:72])[cH:68][c:69]([F:71])[cH:70]1)[cH:11][cH:12]2

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 210858433-Propyl-1,2-benzisoxazole-5-carboxylic acidHCID 218657313-Amino-4-(3,5-difluoro-phenyl)-1-(3-ethyl-benzylamino)-butan-2-ol

Product 1

HCID 21086788N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-3-propyl-1,2-benzoxazole-5-carboxamide

Sources & evidence

ORD record
ord-0dc66c7dab394b7e835268dbec2dd72a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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