Water → 8-methoxycarbonyl 4H-pyrrolo[2,1-c][1,4]-benzoxazine

HRID 1118713Notes

Reaction equation

HRID 1118713 reaction equation
[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH2:61].[OH:13][c:14]1[c:15](-[n:24]2[c:25]([CH2:29][OH:30])[cH:26][cH:27][cH:28]2)[cH:16][c:17]([C:18](=[O:19])[O:20][CH3:21])[cH:22][cH:23]1.[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[c:14]12[c:15]([cH:16][c:17]([C:18](=[O:19])[O:20][CH3:21])[cH:22][cH:23]1)-[n:24]1[c:25]([cH:26][cH:27][cH:28]1)[CH2:29][O:30]2

Participants

7

Reactant 6

HCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 18945313Methyl 4-hydroxy-3-(2-hydroxymethylpyrrol-1-yl)benzoate

Product 1

HCID 189452648-methoxycarbonyl 4H-pyrrolo[2,1-c][1,4]-benzoxazine

Sources & evidence

ORD record
ord-858f81d8e8504a02a06680607cdc5ddf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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