Water → HCID 136146730, compound

HRID 1123137Notes

Reaction equation

HRID 1123137 reaction equation
[CH3:1][c:2]1[n:3](-[c:31]2[cH:32][cH:33][c:34]([O:35][CH:36]([C:37](=[O:38])[NH2:39])[CH3:40])[cH:41][cH:42]2)[c:4](=[O:30])[c:5]([CH2:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19](-[c:24]4[n:25][o:26][c:27](=[O:29])[nH:28]4)[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)[c:6]([CH2:8][CH2:9][CH3:10])[n:7]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[CH3:69][C:70]#[N:71].[F:50][C:51]([F:52])([F:53])[C:54]([O:55][C:56](=[O:57])[C:58]([F:59])([F:60])[F:61])=[O:62].[OH2:72]>>[CH3:1][c:2]1[n:3](-[c:31]2[cH:32][cH:33][c:34]([O:35][CH:36]([C:37]#[N:39])[CH3:40])[cH:41][cH:42]2)[c:4](=[O:30])[c:5]([CH2:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19](-[c:24]4[n:25][o:26][c:27](=[O:29])[nH:28]4)[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)[c:6]([CH2:8][CH2:9][CH3:10])[n:7]1

Participants

7

Reactant 6

HCID 962WaterHCID 6342AcetonitrileHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 9845Trifluoroacetic anhydrideHCID 136146861HCID 136146861, compound

Product 1

HCID 136146730HCID 136146730, compound

Sources & evidence

ORD record
ord-b03f4e2ee9a24606b0da28d2330092a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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