Water → HCID 69882181, compound

HRID 688637Notes

Reaction equation

HRID 688637 reaction equation
[CH2:51]([CH3:52])[O:53][CH:54]([C:55](=[O:56])[O:57][CH2:58][CH3:59])[CH2:60][c:61]1[cH:62][cH:63][c:64]([OH:67])[cH:65][cH:66]1.[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[OH2:73].[c:13]1([P:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:27][cH:28][cH:29][cH:30][cH:31]1.[cH:32]1[cH:33][cH:34][cH:35][c:36]2[c:42]1[C:41](=[CH:43][CH2:44][CH2:45][OH:46])[c:40]1[c:39]([cH:50][cH:49][cH:48][cH:47]1)[CH2:38][O:37]2>>[cH:32]1[cH:33][cH:34][cH:35][c:36]2[c:42]1[C:41](=[CH:43][CH2:44][CH2:45][O:46][c:64]1[cH:63][cH:62][c:61]([CH2:60][CH:54]([O:53][CH2:51][CH3:52])[C:55](=[O:56])[O:57][CH2:58][CH3:59])[cH:66][cH:65]1)[c:40]1[c:39]([cH:50][cH:49][cH:48][cH:47]1)[CH2:38][O:37]2

Participants

7

Reactant 6

HCID 962WaterHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 11791243Ethyl 2-ethoxy-3-(4-hydroxyphenyl)propanoateHCID 670690803-Dibenz[b,e]oxepin-11(6H)-ylidene-1-propanol

Product 1

HCID 69882181HCID 69882181, compound

Sources & evidence

ORD record
ord-3cff143cbcb843939d4e0243be9251e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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