Acetonitrile → ethyl 2-(5-(1-(benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-1H-indol-2-yl)propanoate

HRID 154874Notes

Reaction equation

HRID 154874 reaction equation
[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:64][C:65]#[N:66].[NH2:47][c:48]1[cH:49][c:50]2[cH:51][c:52]([CH:57]([C:58](=[O:59])[O:60][CH2:61][CH3:62])[CH3:63])[nH:53][c:54]2[cH:55][cH:56]1.[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:14])[OH:15])[CH2:11][CH2:12]1)[cH:9]2.[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[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:15])[NH:47][c:48]3[cH:49][c:50]4[cH:51][c:52]([CH:57]([C:58](=[O:59])[O:60][CH2:61][CH3:62])[CH3:63])[nH:53][c:54]4[cH:55][cH:56]3)[CH2:11][CH2:12]1)[cH:9]2

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 143496081-(1,3-Dioxaindan-5-yl)cyclopropane-1-carboxylic acidHCID 59129453ethyl 2-(5-amino-1H-indol-2-yl)propanoate

Product 1

HCID 24762729ethyl 2-(5-(1-(benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-1H-indol-2-yl)propanoate

Sources & evidence

ORD record
ord-787646185548411a82e7237cf781adfb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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